(E)-1-[1-(4-nitrophenyl)ethylidene]-2-phenylhydrazine

• ChemBase ID: 255359
• Molecular Formular: C14H13N3O2
• Molecular Mass: 255.27192
• Monoisotopic Mass: 255.10077667
• SMILES: [N+](=O)(c1ccc(/C(=N/Nc2ccccc2)/C)cc1)[O-]
• Canonical SMILES: C/C(=N\Nc1ccccc1)/c1ccc(cc1)[N+](=O)[O-]
• InChI: InChI=1S/C14H13N3O2/c1-11(15-16-13-5-3-2-4-6-13)12-7-9-14(10-8-12)17(18)19/h2-10,16H,1H3/b15-11+
• InChIKey: VXRMHXXWRBMDFK-RVDMUPIBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-1-[1-(4-nitrophenyl)ethylidene]-2-phenylhydrazine
• IUPAC Traditional name: (E)-1-[1-(4-nitrophenyl)ethylidene]-2-phenylhydrazine
• Synonyms: (1E)-1-(4-nitrophenyl)ethanone phenylhydrazone

Database IDs

• MDL Number: MFCD00436994
• PubChem SID: 164311269
• PubChem CID: 5824477

CALCULATED PROPERTIES

• Acid pKa: 16.889109
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.5650294
• LogD (pH = 7.4): 3.5846446
• Log P: 3.585742
• Molar Refractivity: 75.5232 cm^3
• Polarizability: 27.306993 Å^3
• Polar Surface Area: 70.21 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.409

Product Information

• Purity: 95%