oxidanimine

• ChemBase ID: 128638
• Molecular Formular: HNO
• Molecular Mass: 31.01404
• Monoisotopic Mass: 31.00581366
• SMILES: N=O
• Canonical SMILES: N=O
• InChI: InChI=1S/HNO/c1-2/h1H
• InChIKey: ODUCDPQEXGNKDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxidanimine
• IUPAC Systematic name: Oxidanimine
• IUPAC Traditional name: nitrogen oxide
• Synonyms: Hydrogen oxonitrate(I); Nitronous oxide; Nitrosyl hydride; Nitroxyl

Database IDs

• CAS Number: 14332-28-6
• PubChem SID: 162222945
• PubChem CID: 945
• CHEMBL: 1200689
• Chemspider ID: 920
• MeSH Name: Nitroxyl
• Wikipedia Title: Nitroxyl

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.2645777
• LogD (pH = 7.4): -0.26457033
• Log P: -0.2645702
• Molar Refractivity: 4.0075 cm^3
• Polarizability: 1.948816 Å^3
• Polar Surface Area: 40.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.74
• Heat Capacity: 33.88 J K^-1 mol^-1
• Std molar entropy: 220.91 J K^-1 mol^-1