6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-ol

• ChemBase ID: 124607
• Molecular Formular: C12H12ClNO
• Molecular Mass: 221.68278
• Monoisotopic Mass: 221.06074169
• SMILES: c12[nH]c3c(c1CCCC2O)cc(cc3)Cl
• Canonical SMILES: Clc1ccc2c(c1)c1CCCC(c1[nH]2)O
• InChI: InChI=1S/C12H12ClNO/c13-7-4-5-10-9(6-7)8-2-1-3-11(15)12(8)14-10/h4-6,11,14-15H,1-3H2
• InChIKey: UNKUZWDRDQYPGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-ol
• IUPAC Traditional name: 6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-ol
• Synonyms: 6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-ol

Database IDs

• PubChem SID: 162218960
• PubChem CID: 3725226

CALCULATED PROPERTIES

• Acid pKa: 14.242882
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 2.8174968
• LogD (pH = 7.4): 2.8174968
• Log P: 2.8174968
• Molar Refractivity: 60.8245 cm^3
• Polarizability: 24.567162 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true