3-(4-fluorophenyl)-6-[3-(1-methoxyethyl)phenyl]pyridazine

• ChemBase ID: 355579
• Molecular Formular: C19H17FN2O
• Molecular Mass: 308.3494832
• Monoisotopic Mass: 308.13249139
• SMILES: n1nc(c2ccc(cc2)F)ccc1c1cc(C(OC)C)ccc1
• Canonical SMILES: COC(c1cccc(c1)c1ccc(nn1)c1ccc(cc1)F)C
• InChI: InChI=1S/C19H17FN2O/c1-13(23-2)15-4-3-5-16(12-15)19-11-10-18(21-22-19)14-6-8-17(20)9-7-14/h3-13H,1-2H3
• InChIKey: BSIGGXBNCFRSMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-fluorophenyl)-6-[3-(1-methoxyethyl)phenyl]pyridazine
• IUPAC Traditional name: 3-(4-fluorophenyl)-6-[3-(1-methoxyethyl)phenyl]pyridazine
• Synonyms: 3-(4-fluorophenyl)-6-[3-(1-methoxyethyl)phenyl]pyridazine

CALCULATED PROPERTIES

JChem

• LogD (pH = 5.5): 4.27688
• LogD (pH = 7.4): 4.277007
• Log P: 4.2770085
• Molar Refractivity: 89.4951 cm^3
• Polarizability: 36.35889 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0

供应商提供(Chembridge)

• Log P: 2.96
• LOG S: -3.98
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 0