10-hydrazinylidene-9,10-dihydroanthracen-9-one

• ChemBase ID: 109814
• Molecular Formular: C14H10N2O
• Molecular Mass: 222.242
• Monoisotopic Mass: 222.07931295
• SMILES: N/N=C/1\c2ccccc2C(=O)c2ccccc12
• Canonical SMILES: N/N=C/1\c2ccccc2C(=O)c2c1cccc2
• InChI: InChI=1S/C14H10N2O/c15-16-13-9-5-1-3-7-11(9)14(17)12-8-4-2-6-10(12)13/h1-8H,15H2
• InChIKey: NXAUAEWCWZJKIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-hydrazinylidene-9,10-dihydroanthracen-9-one
• IUPAC Traditional name: 10-hydrazinylideneanthracen-9-one
• Synonyms: ANTHRAQUINONE MONOHYDRAZONE

Database IDs

• CAS Number: 3166-13-0
• PubChem SID: 162095282
• PubChem CID: 5376380

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.633744
• LogD (pH = 7.4): 2.6348774
• Log P: 2.634892
• Molar Refractivity: 67.6922 cm^3
• Polarizability: 25.230185 Å^3
• Polar Surface Area: 55.45 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05212684

MP Biomedicals Rare Chemical collection