N-[(1Z)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-ylidene]hydroxylamine

• ChemBase ID: 124186
• Molecular Formular: C12H11ClN2O
• Molecular Mass: 234.68154
• Monoisotopic Mass: 234.05599066
• SMILES: c12[nH]c3c(c1CCC/C/2=N/O)cc(cc3)Cl
• Canonical SMILES: O/N=C\1/CCCc2c1[nH]c1c2cc(cc1)Cl
• InChI: InChI=1S/C12H11ClN2O/c13-7-4-5-10-9(6-7)8-2-1-3-11(15-16)12(8)14-10/h4-6,14,16H,1-3H2/b15-11-
• InChIKey: SFQBXMSMBXJAMG-PTNGSMBKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1Z)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-ylidene]hydroxylamine
• IUPAC Traditional name: N-[(1Z)-6-chloro-2,3,4,9-tetrahydrocarbazol-1-ylidene]hydroxylamine
• Synonyms: (Z)-6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-one oxime

Database IDs

• PubChem SID: 162218539
• PubChem CID: 5720470

CALCULATED PROPERTIES

• Acid pKa: 11.982547
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.9132473
• LogD (pH = 7.4): 2.9133987
• Log P: 2.9134123
• Molar Refractivity: 63.9172 cm^3
• Polarizability: 25.360138 Å^3
• Polar Surface Area: 48.38 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true