2-({6-[(E)-2-phenylethenyl]pyridazin-3-yl}amino)ethan-1-ol

• ChemBase ID: 839436
• Molecular Formular: C14H15N3O
• Molecular Mass: 241.2884
• Monoisotopic Mass: 241.12151212
• SMILES: n1nc(/C=C/c2ccccc2)ccc1NCCO
• Canonical SMILES: OCCNc1ccc(nn1)/C=C/c1ccccc1
• InChI: InChI=1S/C14H15N3O/c18-11-10-15-14-9-8-13(16-17-14)7-6-12-4-2-1-3-5-12/h1-9,18H,10-11H2,(H,15,17)/b7-6+
• InChIKey: QAJYIQORAAQNEX-VOTSOKGWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({6-[(E)-2-phenylethenyl]pyridazin-3-yl}amino)ethan-1-ol
• IUPAC Traditional name: 2-({6-[(E)-2-phenylethenyl]pyridazin-3-yl}amino)ethanol
• Synonyms: 2-({6-[(E)-2-phenylvinyl]pyridazin-3-yl}amino)ethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.583911
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.7142284
• LogD (pH = 7.4): 1.7262833
• Log P: 1.7264392
• Molar Refractivity: 75.5717 cm^3
• Polarizability: 27.172314 Å^3
• Polar Surface Area: 58.04 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.75
• LOG S: -2.46
• Polar Surface Area: 58.04 Å^2
• Rotatable Bonds: 5