2,2-diphenylcyclopropane-1-carbohydrazide

• ChemBase ID: 121914
• Molecular Formular: C16H16N2O
• Molecular Mass: 252.31104
• Monoisotopic Mass: 252.12626314
• SMILES: C1(C(C1)C(=O)NN)(c1ccccc1)c1ccccc1
• Canonical SMILES: NNC(=O)C1CC1(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C16H16N2O/c17-18-15(19)14-11-16(14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H,11,17H2,(H,18,19)
• InChIKey: BERIITZPKWMYDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-diphenylcyclopropane-1-carbohydrazide
• IUPAC Traditional name: 2,2-diphenylcyclopropane-1-carbohydrazide
• Synonyms: 2,2-diphenylcyclopropanecarbohydrazide

Database IDs

• PubChem SID: 162216267
• PubChem CID: 2828484

CALCULATED PROPERTIES

• Acid pKa: 12.954195
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.3052034
• LogD (pH = 7.4): 2.3076737
• Log P: 2.3077064
• Molar Refractivity: 86.0573 cm^3
• Polarizability: 29.209118 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true