2-amino-5-nitrobenzohydrazide

• ChemBase ID: 79009
• Molecular Formular: C7H8N4O3
• Molecular Mass: 196.16342
• Monoisotopic Mass: 196.05964014
• SMILES: [N+](=O)(c1cc(c(cc1)N)C(=O)NN)[O-]
• Canonical SMILES: NNC(=O)c1cc(ccc1N)[N+](=O)[O-]
• InChI: InChI=1S/C7H8N4O3/c8-6-2-1-4(11(13)14)3-5(6)7(12)10-9/h1-3H,8-9H2,(H,10,12)
• InChIKey: JANMRHYTBQZQFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-nitrobenzohydrazide
• IUPAC Traditional name: 2-amino-5-nitrobenzohydrazide
• Synonyms: 2-amino-5-nitrobenzohydrazide

Database IDs

• MDL Number: MFCD01312109
• PubChem SID: 162043772
• PubChem CID: 3746674

CALCULATED PROPERTIES

• Molar Refractivity: 51.6456 cm^3
• Polarizability: 17.72436 Å^3
• Polar Surface Area: 126.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 13.698685
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.28764766
• LogD (pH = 7.4): 0.2884581
• Log P: 0.28846866