copper(2+) ion bis(quinolin-8-olate)

• ChemBase ID: 91602
• Molecular Formular: C18H12CuN2O2
• Molecular Mass: 351.84608
• Monoisotopic Mass: 351.01947513
• SMILES: n1c2c(ccc1)cccc2[O-].[Cu+2].n1c2c(ccc1)cccc2[O-]
• Canonical SMILES: [O-]c1cccc2c1nccc2.[O-]c1cccc2c1nccc2.[Cu+2]
• InChI: InChI=1S/2C9H7NO.Cu/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2
• InChIKey: YXLXNENXOJSQEI-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: copper(2+) ion bis(quinolin-8-olate)
• IUPAC Traditional name: copper(2+) bis(quinolin-8-olate)
• Synonyms: Copper 8-hydroxyquinoline

Database IDs

• CAS Number: 10380-28-6
• MDL Number: MFCD00067392
• PubChem SID: 162078301
• PubChem CID: 3032555

CALCULATED PROPERTIES

• Acid pKa: 9.357015
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8162123
• LogD (pH = 7.4): 1.8223643
• Log P: 1.8273351
• Molar Refractivity: 52.5105 cm^3
• Polarizability: 17.32436 Å^3
• Polar Surface Area: 35.95 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant