3-chloro-4,6-diphenylpyridazine

• ChemBase ID: 84188
• Molecular Formular: C16H11ClN2
• Molecular Mass: 266.72494
• Monoisotopic Mass: 266.06107604
• SMILES: n1nc(cc(c1Cl)c1ccccc1)c1ccccc1
• Canonical SMILES: Clc1nnc(cc1c1ccccc1)c1ccccc1
• InChI: InChI=1S/C16H11ClN2/c17-16-14(12-7-3-1-4-8-12)11-15(18-19-16)13-9-5-2-6-10-13/h1-11H
• InChIKey: LLNKQEGLWGATPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-chloro-4,6-diphenylpyridazine
• IUPAC Traditional name: 3-chloro-4,6-diphenylpyridazine
• Synonyms: 3-chloro-4,6-diphenylpyridazine

Database IDs

• MDL Number: MFCD00126799
• PubChem SID: 162071304
• PubChem CID: 2781610

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.280314
• LogD (pH = 7.4): 4.2803264
• Log P: 4.2803264
• Molar Refractivity: 79.5309 cm^3
• Polarizability: 32.52317 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true