N'-[(2-chloro-5-nitrophenyl)methylidene]-2-[(3-nitrophenyl)amino]acetohydrazide

• ChemBase ID: 83271
• Molecular Formular: C15H12ClN5O5
• Molecular Mass: 377.73928
• Monoisotopic Mass: 377.05269619
• SMILES: [N+](=O)(c1cc(c(cc1)Cl)/C=N/NC(=O)CNc1cccc(c1)[N+](=O)[O-])[O-]
• Canonical SMILES: O=C(CNc1cccc(c1)[N+](=O)[O-])N/N=C/c1cc(ccc1Cl)[N+](=O)[O-]
• InChI: InChI=1S/C15H12ClN5O5/c16-14-5-4-13(21(25)26)6-10(14)8-18-19-15(22)9-17-11-2-1-3-12(7-11)20(23)24/h1-8,17H,9H2,(H,19,22)
• InChIKey: JFWRYQYCPZNMDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-[(2-chloro-5-nitrophenyl)methylidene]-2-[(3-nitrophenyl)amino]acetohydrazide
• IUPAC Traditional name: N'-[(2-chloro-5-nitrophenyl)methylidene]-2-[(3-nitrophenyl)amino]acetohydrazide
• Synonyms: N'1-(2-chloro-5-nitrobenzylidene)-2-(3-nitroanilino)ethanohydrazide

Database IDs

• MDL Number: MFCD00098732
• PubChem SID: 162070390
• PubChem CID: 9582269

CALCULATED PROPERTIES

• Acid pKa: 11.694893
• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): 2.74032
• LogD (pH = 7.4): 2.7403069
• Log P: 2.7403264
• Molar Refractivity: 96.7119 cm^3
• Polarizability: 34.324314 Å^3
• Polar Surface Area: 145.13 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true