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

• ChemBase ID: 183711
• Molecular Formular: C19H18N2O3
• Molecular Mass: 322.35782
• Monoisotopic Mass: 322.13174245
• SMILES: c12[nH]c3c(c1CCC/C/2=N\O)cc(Oc1ccc(cc1)OC)cc3
• Canonical SMILES: O/N=C/1\CCCc2c1[nH]c1c2cc(cc1)Oc1ccc(cc1)OC
• InChI: InChI=1S/C19H18N2O3/c1-23-12-5-7-13(8-6-12)24-14-9-10-17-16(11-14)15-3-2-4-18(21-22)19(15)20-17/h5-11,20,22H,2-4H2,1H3/b21-18+
• InChIKey: JGDPUCPCZMQDGB-DYTRJAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1E)-6-(4-methoxyphenoxy)-2,3,4,9-tetrahydro-1H-carbazol-1-ylidene]hydroxylamine
• IUPAC Traditional name: N-[(1E)-6-(4-methoxyphenoxy)-2,3,4,9-tetrahydrocarbazol-1-ylidene]hydroxylamine

Database IDs

• PubChem SID: 164239621
• PubChem CID: 5344734

CALCULATED PROPERTIES

• Acid pKa: 12.088219
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.6517415
• LogD (pH = 7.4): 3.6519716
• Log P: 3.6519835
• Molar Refractivity: 91.8164 cm^3
• Polarizability: 36.350414 Å^3
• Polar Surface Area: 66.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds