1-[3-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)-2-hydroxypropyl]-2,3-dihydro-1H-indole-2,3-dione

• ChemBase ID: 191682
• Molecular Formular: C19H14N2O5
• Molecular Mass: 350.32486
• Monoisotopic Mass: 350.09027156
• SMILES: N1(C(=O)C(=O)c2c1cccc2)CC(CN1C(=O)C(=O)c2c1cccc2)O
• Canonical SMILES: OC(CN1c2ccccc2C(=O)C1=O)CN1c2ccccc2C(=O)C1=O
• InChI: InChI=1S/C19H14N2O5/c22-11(9-20-14-7-3-1-5-12(14)16(23)18(20)25)10-21-15-8-4-2-6-13(15)17(24)19(21)26/h1-8,11,22H,9-10H2
• InChIKey: SXMXQHXDAWONQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)-2-hydroxypropyl]-2,3-dihydro-1H-indole-2,3-dione
• IUPAC Traditional name: 1-[3-(2,3-dioxoindol-1-yl)-2-hydroxypropyl]indole-2,3-dione

Database IDs

• PubChem SID: 164247592
• PubChem CID: 2055356

CALCULATED PROPERTIES

• Acid pKa: 14.447935
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.82935935
• LogD (pH = 7.4): 0.82935935
• Log P: 0.82935935
• Molar Refractivity: 91.1753 cm^3
• Polarizability: 34.52459 Å^3
• Polar Surface Area: 94.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds