3-(3,5-dichlorophenyl)-6-methylpyridazine

• ChemBase ID: 644670
• Molecular Formular: C11H8Cl2N2
• Molecular Mass: 239.10062
• Monoisotopic Mass: 238.00645363
• SMILES: n1nc(ccc1c1cc(cc(c1)Cl)Cl)C
• Canonical SMILES: Clc1cc(Cl)cc(c1)c1ccc(nn1)C
• InChI: InChI=1S/C11H8Cl2N2/c1-7-2-3-11(15-14-7)8-4-9(12)6-10(13)5-8/h2-6H,1H3
• InChIKey: QOTVNMMZSLINIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3,5-dichlorophenyl)-6-methylpyridazine
• IUPAC Traditional name: 3-(3,5-dichlorophenyl)-6-methylpyridazine
• Synonyms: 3-(3,5-dichlorophenyl)-6-methylpyridazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1469872
• LogD (pH = 7.4): 3.1483216
• Log P: 3.1483386
• Molar Refractivity: 62.7297 cm^3
• Polarizability: 24.989012 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.74
• LOG S: -3.29
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1