bis(2-chloro-3-phenylprop-2-en-1-ylidene)hydrazine

• ChemBase ID: 85492
• Molecular Formular: C18H14Cl2N2
• Molecular Mass: 329.22316
• Monoisotopic Mass: 328.05340382
• SMILES: N(=C\C(=C\c1ccccc1)\Cl)/N=C/C(=C/c1ccccc1)/Cl
• Canonical SMILES: Cl/C(=C\c1ccccc1)/C=N/N=C/C(=C/c1ccccc1)/Cl
• InChI: InChI=1S/C18H14Cl2N2/c19-17(11-15-7-3-1-4-8-15)13-21-22-14-18(20)12-16-9-5-2-6-10-16/h1-14H
• InChIKey: SHRQTSDSSHHVMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(2-chloro-3-phenylprop-2-en-1-ylidene)hydrazine
• IUPAC Traditional name: bis(2-chloro-3-phenylprop-2-en-1-ylidene)hydrazine
• Synonyms: 1,2-di(2-chloro-3-phenylprop-2-enylidene)hydrazine

Database IDs

• MDL Number: MFCD00220834
• PubChem SID: 162072608
• PubChem CID: 9582843

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.8016067
• LogD (pH = 7.4): 4.8016067
• Log P: 4.8016067
• Molar Refractivity: 96.3658 cm^3
• Polarizability: 35.747364 Å^3
• Polar Surface Area: 24.72 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true