3-(4-cyclopentylphenyl)-6-methylpyridazine

• ChemBase ID: 400524
• Molecular Formular: C16H18N2
• Molecular Mass: 238.32752
• Monoisotopic Mass: 238.14699859
• SMILES: n1nc(ccc1c1ccc(cc1)C1CCCC1)C
• Canonical SMILES: Cc1ccc(nn1)c1ccc(cc1)C1CCCC1
• InChI: InChI=1S/C16H18N2/c1-12-6-11-16(18-17-12)15-9-7-14(8-10-15)13-4-2-3-5-13/h6-11,13H,2-5H2,1H3
• InChIKey: SCNRIHGYDYWEHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-cyclopentylphenyl)-6-methylpyridazine
• IUPAC Traditional name: 3-(4-cyclopentylphenyl)-6-methylpyridazine
• Synonyms: 3-(4-cyclopentylphenyl)-6-methylpyridazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6089947
• LogD (pH = 7.4): 3.6106486
• Log P: 3.6106699
• Molar Refractivity: 74.7107 cm^3
• Polarizability: 29.750975 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.55
• LOG S: -3.97
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 2