phenazin-5-ium-5-olate

• ChemBase ID: 111264
• Molecular Formular: C12H8N2O
• Molecular Mass: 196.20472
• Monoisotopic Mass: 196.06366289
• SMILES: [O-][n+]1c2ccccc2nc2c1cccc2
• Canonical SMILES: [O-][n+]1c2ccccc2nc2c1cccc2
• InChI: InChI=1S/C12H8N2O/c15-14-11-7-3-1-5-9(11)13-10-6-2-4-8-12(10)14/h1-8H
• InChIKey: FFISWZPYNKWIRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenazin-5-ium-5-olate
• IUPAC Traditional name: phenazin-5-ium-5-olate
• Synonyms: PHENAZINE N-OXIDE

Database IDs

• CAS Number: 304-81-4
• PubChem SID: 162096576
• PubChem CID: 9362

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.122374
• LogD (pH = 7.4): 2.1223743
• Log P: 2.1223743
• Molar Refractivity: 57.2821 cm^3
• Polarizability: 24.139977 Å^3
• Polar Surface Area: 38.35 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05218416

MP Biomedicals Rare Chemical collection