6-(4-methoxyphenyl)-1H-indazole

• ChemBase ID: 710995
• Molecular Formular: C14H12N2O
• Molecular Mass: 224.25788
• Monoisotopic Mass: 224.09496301
• SMILES: n1[nH]c2c(c1)ccc(c2)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1ccc2c(c1)[nH]nc2
• InChI: InChI=1S/C14H12N2O/c1-17-13-6-4-10(5-7-13)11-2-3-12-9-15-16-14(12)8-11/h2-9H,1H3,(H,15,16)
• InChIKey: BXACBLWNAGNOGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-methoxyphenyl)-1H-indazole
• IUPAC Traditional name: 6-(4-methoxyphenyl)-1H-indazole
• Synonyms: 6-(4-methoxyphenyl)-1H-indazole

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.9397745
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.7858415
• LogD (pH = 7.4): 2.7858493
• Log P: 2.7858617
• Molar Refractivity: 67.6725 cm^3
• Polarizability: 28.232496 Å^3
• Polar Surface Area: 37.91 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.39
• LOG S: -3.73
• Polar Surface Area: 37.91 Å^2
• Rotatable Bonds: 2