biphenylene-2,6-dicarboxamide

• ChemBase ID: 76471
• Molecular Formular: C14H10N2O2
• Molecular Mass: 238.2414
• Monoisotopic Mass: 238.07422757
• SMILES: NC(=O)c1cc2c(cc1)c1cc(ccc21)C(=O)N
• Canonical SMILES: NC(=O)c1ccc2c(c1)c1c2cc(cc1)C(=O)N
• InChI: InChI=1S/C14H10N2O2/c15-13(17)7-1-3-9-11(5-7)10-4-2-8(14(16)18)6-12(9)10/h1-6H,(H2,15,17)(H2,16,18)
• InChIKey: RQSSAULZYQXWNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: biphenylene-2,6-dicarboxamide
• IUPAC Traditional name: biphenylene-2,6-dicarboxamide
• Synonyms: Biphenylene-2,6-dicarboxamide

Database IDs

• MDL Number: MFCD06796312
• PubChem SID: 162041375
• PubChem CID: 26369643

CALCULATED PROPERTIES

• Acid pKa: 14.246498
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.9957312
• LogD (pH = 7.4): 0.99573135
• Log P: 0.9957313
• Molar Refractivity: 68.4292 cm^3
• Polarizability: 27.59314 Å^3
• Polar Surface Area: 86.18 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true