SDF/Mol File of Nitric oxide (NO)
Identification of Nitric oxide Chemical Compound
Chemical Formula | NO |
---|---|
Molecular Weight | 30.0061 g/mol |
IUPAC Name | nitric oxide |
SMILES String | [N]=O |
InChI | InChI=1S/NO/c1-2 |
InChIKey | MWUXSHHQAYIFBG-UHFFFAOYSA-N |
Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of nitric oxide is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of nitric oxide molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
chemical table area
Search Another SDF·MOL File
Enter another compound to search for SDF·MOL file:
Input example for Ethanol:
- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Deep Data Application Examples
Our Deep Data encompasses property data, spectral data, quantum chemical data, and molecular descriptor data for a wide range of chemical compounds. It features more than 2,100 high-quality datasets per single chemical compound, totaling over 8 billion datasets for 4.1+ million chemical compounds. Below are some application examples that may interest you:
- Thermophysical Property Datafile (IK-Cape File) for Process Simulators, e.g., Aspen Plus
- Free Radicals Thermodynamic Data for Oxidation, Combustion, and Thermal Cracking Kinetics
- Quantum Tools for IR Spectra Interpretation
- Instant Access to Molecular Orbitals
- Faster Quantum Calculations with Pre-Computed Results
- Chemical Big Data for Artificial Intelligence (AI) Developments
- Quantum Descriptors for QSAR·QSPR Modeling
- Deep Data Application Overview
Additional Information for Identifying Nitric oxide Molecule
-
Chemical structure of nitric oxide
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of nitric oxide is available in chemical structure page of nitric oxide, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
-
Molecular weight of nitric oxide
The molecular weight of nitric oxide is available in molecular weight page of nitric oxide, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
-
Chemical formula of nitric oxide
The chemical formula of nitric oxide is given in chemical formula page of nitric oxide, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
-
InChI (IUPAC International Chemical Identifier) information of nitric oxide
An alternative way of expressing structural information in text format is InChI. The full standard InChI of nitric oxide is:
InChI=1S/NO/c1-2
It can provide a standard way to encode the molecular information of nitric oxide to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of nitric oxide is:
InChIKey=MWUXSHHQAYIFBG-UHFFFAOYSA-N
The InChIKey may allow easier web searches for nitric oxide, but it needs to be linked to the full InChI to get back to the original structure of the nitric oxide since the full standard InChI cannot be reconstructed from the InChIKey.
-
Other names (synonyms) or registry numbers of nitric oxide
The nitric oxide compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of nitric oxide including the registry numbers are listed below, if available:
- 31C4KY9ESH
- Nitric oxide, 98.5%
- NITRIC-OXIDE
- Nitrogen(II) oxide
- Nitric Oxide, Endothelium-Derived
- Nitric Oxide, Endothelium Derived
- Endothelium-Derived Nitric Oxide
- Vasodilator, Endogenous Nitrate
- Nitrate Vasodilator, Endogenous
- Endogenous Nitrate Vasodilator
- Nitrosoradical
- Monoxide, Mononitrogen
- Monoxide, Nitrogen
- Oxide, Nitric
- D00074
- (NO)(.)
- OHM 11771
- NO(.)
- endothelium-derived relaxing factor
- (.)NO
- [NO]
- oxido de nitrogeno(II)
- INOmax (TN)
- Nitric oxide (JAN)
- Stickstoff(II)-oxid
- monoxido de nitrogeno
- EDRF
- Nitric oxide trimer
- oxidonitrogen(.)
- Stickstoffmonoxid
- oxido nitrico
- oxyde azotique
- oxoazanyl
- monoxyde d'azote
- 10102-43-9
- nitrosyl
- nitrogen monooxide
- INOmax
- Mononitrogen monoxide
- D009569
Nitric oxide Identification Summary Frequently Asked Questions (FAQs)
What’s the nitric oxide formula? |
---|
NO |
How many atoms and what elements are included in the nitric oxide molecule? |
2 atom(s) - 1 Nitrogen atom(s) and 1 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are in the nitric oxide structure? |
1 bond(s) - 1 non-H bond(s), 1 multiple bond(s), and 1 double bond(s) |
What’s the nitric oxide’s molar mass? |
30.0061 g/mol |
What’s the SMILES structure of nitric oxide? |
[N]=O |
What’s the InChI code of nitric oxide? |
InChI=1S/NO/c1-2 |
What’s the InChIKey format of nitric oxide? |
MWUXSHHQAYIFBG-UHFFFAOYSA-N |
216
The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).