4-{furo[3,2-c]pyridin-4-yl}-1H-indole

• ChemBase ID: 562766
• Molecular Formular: C15H10N2O
• Molecular Mass: 234.2527
• Monoisotopic Mass: 234.07931295
• SMILES: c1(c2c(occ2)ccn1)c1c2c([nH]cc2)ccc1
• Canonical SMILES: c1cc2occc2c(n1)c1cccc2c1cc[nH]2
• InChI: InChI=1S/C15H10N2O/c1-2-11(10-4-7-16-13(10)3-1)15-12-6-9-18-14(12)5-8-17-15/h1-9,16H
• InChIKey: JOWPGIKZQJKZES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{furo[3,2-c]pyridin-4-yl}-1H-indole
• IUPAC Traditional name: 4-{furo[3,2-c]pyridin-4-yl}-1H-indole
• Synonyms: 4-(1H-indol-4-yl)furo[3,2-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.138624
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.0434132
• LogD (pH = 7.4): 3.046495
• Log P: 3.0465345
• Molar Refractivity: 68.5929 cm^3
• Polarizability: 30.187979 Å^3
• Polar Surface Area: 41.82 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.29
• LOG S: -4.83
• Polar Surface Area: 41.82 Å^2
• Rotatable Bonds: 1