3-(2,3-dimethoxyphenyl)-6-(4-fluorophenyl)pyridazine

• ChemBase ID: 678573
• Molecular Formular: C18H15FN2O2
• Molecular Mass: 310.3223032
• Monoisotopic Mass: 310.11175595
• SMILES: c1(c(c(OC)ccc1)OC)c1nnc(c2ccc(cc2)F)cc1
• Canonical SMILES: COc1c(OC)cccc1c1ccc(nn1)c1ccc(cc1)F
• InChI: InChI=1S/C18H15FN2O2/c1-22-17-5-3-4-14(18(17)23-2)16-11-10-15(20-21-16)12-6-8-13(19)9-7-12/h3-11H,1-2H3
• InChIKey: AXTKKMYBGFCWRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,3-dimethoxyphenyl)-6-(4-fluorophenyl)pyridazine
• IUPAC Traditional name: 3-(2,3-dimethoxyphenyl)-6-(4-fluorophenyl)pyridazine
• Synonyms: 3-(2,3-dimethoxyphenyl)-6-(4-fluorophenyl)pyridazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.6692703
• LogD (pH = 7.4): 3.6693137
• Log P: 3.6693141
• Molar Refractivity: 86.4356 cm^3
• Polarizability: 35.15175 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.22
• LOG S: -3.36
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 4