5-methoxy-1H-indole-2-carbohydrazide

• ChemBase ID: 58993
• Molecular Formular: C10H11N3O2
• Molecular Mass: 205.21324
• Monoisotopic Mass: 205.08512661
• SMILES: c1(ccc2[nH]c(cc2c1)C(=O)NN)OC
• Canonical SMILES: NNC(=O)c1cc2c([nH]1)ccc(c2)OC
• InChI: InChI=1S/C10H11N3O2/c1-15-7-2-3-8-6(4-7)5-9(12-8)10(14)13-11/h2-5,12H,11H2,1H3,(H,13,14)
• InChIKey: NOSSGTXJQVVKLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-1H-indole-2-carbohydrazide
• IUPAC Traditional name: 5-methoxy-1H-indole-2-carbohydrazide
• Synonyms: 5-Methoxy-1H-indole-2-carbohydrazide

Database IDs

• MDL Number: MFCD00698931
• PubChem SID: 162063756
• PubChem CID: 4777880

CALCULATED PROPERTIES

• Acid pKa: 12.504973
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.38745654
• LogD (pH = 7.4): 0.3884861
• Log P: 0.38850227
• Molar Refractivity: 57.0477 cm^3
• Polarizability: 22.309366 Å^3
• Polar Surface Area: 80.14 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false