Metabolite Nitrate
- Name
- Nitrate
- Description
- Not Available
- Structure
Structure for Nitrate
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 62.0049
Monoisotopic: 61.987817871 - Chemical Formula
- NO3
- InChI Key
- NHNBFGGVMKEFGY-UHFFFAOYSA-N
- InChI
- InChI=1S/NO3/c2-1(3)4/q-1
- IUPAC Name
- nitrate
- SMILES
- [O-][N+]([O-])=O
- Reactions
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 106.43794 predictedDeepCCS 1.0 (2019) [M-H]- 106.43794 predictedDeepCCS 1.0 (2019) [M+H]+ 93.6225389 predictedDarkChem Lite v0.1.0 [M+H]+ 108.31851 predictedDeepCCS 1.0 (2019) [M+H]+ 93.6225389 predictedDarkChem Lite v0.1.0 [M+H]+ 108.31851 predictedDeepCCS 1.0 (2019) [M+Na]+ 94.0981389 predictedDarkChem Lite v0.1.0 [M+Na]+ 116.67768 predictedDeepCCS 1.0 (2019) [M+Na]+ 94.0981389 predictedDarkChem Lite v0.1.0 [M+Na]+ 116.67768 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0002878
- ChemSpider
- 918
- BindingDB
- 26988
- ChEBI
- 17632
- ChEMBL
- CHEMBL186200
- PDBe Ligand
- NO3
- Wikipedia
- Nitrate
- Predicted Properties
Property Value Source logP 0.84 Chemaxon pKa (Strongest Basic) -9.9 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 66.2 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 8.35 m3·mol-1 Chemaxon Polarizability 3.28 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon