1H-indole-4-carbohydrazide

• ChemBase ID: 811127
• Molecular Formular: C9H9N3O
• Molecular Mass: 175.18726
• Monoisotopic Mass: 175.07456192
• SMILES: c1cc2c(cccc2[nH]1)C(=O)NN
• Canonical SMILES: NNC(=O)c1cccc2c1cc[nH]2
• InChI: InChI=1S/C9H9N3O/c10-12-9(13)7-2-1-3-8-6(7)4-5-11-8/h1-5,11H,10H2,(H,12,13)
• InChIKey: VFWVCNABVVHCKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H-indole-4-carbohydrazide
• IUPAC Traditional name: 1H-indole-4-carbohydrazide
• Synonyms: 1H-INDOLE-4-CARBOXYLIC ACID HYDRAZIDE

Database IDs

• CAS Number: 885272-22-0

CALCULATED PROPERTIES

• Acid pKa: 14.560507
• H Acceptors: 2
• H Donor: 3
• LogD (pH = 5.5): 0.62534726
• LogD (pH = 7.4): 0.626162
• Log P: 0.6261724
• Molar Refractivity: 50.707 cm^3
• Polarizability: 19.797646 Å^3
• Polar Surface Area: 70.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%