8-aminoquinoline-2-carboxylic acid

• ChemBase ID: 310478
• Molecular Formular: C10H8N2O2
• Molecular Mass: 188.18272
• Monoisotopic Mass: 188.05857751
• SMILES: n1c2c(N)cccc2ccc1C(=O)O
• Canonical SMILES: OC(=O)c1ccc2c(n1)c(N)ccc2
• InChI: InChI=1S/C10H8N2O2/c11-7-3-1-2-6-4-5-8(10(13)14)12-9(6)7/h1-5H,11H2,(H,13,14)
• InChIKey: YHYCPHGLRYTKCI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-aminoquinoline-2-carboxylic acid
• IUPAC Traditional name: 8-aminoquinoline-2-carboxylic acid
• Synonyms: 8-aminoquinoline-2-carboxylic acid

Database IDs

• CAS Number: 91289-36-0
• MDL Number: MFCD00168260

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.31486818
• LogD (pH = 7.4): -1.8820484
• Log P: 0.7124579
• Molar Refractivity: 51.5639 cm^3
• Polarizability: 20.412577 Å^3
• Polar Surface Area: 76.21 Å^2