3-amino-7-chloro-2,3-dihydro-1H-indol-2-one

• ChemBase ID: 309275
• Molecular Formular: C8H7ClN2O
• Molecular Mass: 182.60698
• Monoisotopic Mass: 182.02469053
• SMILES: N1C(=O)C(c2c1c(Cl)ccc2)N
• Canonical SMILES: O=C1Nc2c(C1N)cccc2Cl
• InChI: InChI=1S/C8H7ClN2O/c9-5-3-1-2-4-6(10)8(12)11-7(4)5/h1-3,6H,10H2,(H,11,12)
• InChIKey: PZPCFHKLPJLPDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-7-chloro-2,3-dihydro-1H-indol-2-one
• IUPAC Traditional name: 3-amino-7-chloro-1,3-dihydroindol-2-one
• Synonyms: 3-amino-7-chloro-1,3-dihydro-2H-indol-2-one

Database IDs

• MDL Number: MFCD14641175

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.0401034
• LogD (pH = 7.4): 0.54243577
• Log P: 0.85405463
• Molar Refractivity: 47.3854 cm^3
• Polarizability: 17.904299 Å^3
• Polar Surface Area: 55.12 Å^2