Metabolite (6-chloro-2-oxo-2,3-dihydro-1H-indol-5-yl)acetic acid
- Name
- (6-chloro-2-oxo-2,3-dihydro-1H-indol-5-yl)acetic acid
- Description
- Not Available
- Structure
Structure for (6-chloro-2-oxo-2,3-dihydro-1H-indol-5-yl)acetic acid
- Synonyms
- Not Available
- UNII
- 247Y55EP9X
- CAS number
- Not Available
- Weight
- Average: 225.63
Monoisotopic: 225.0192708 - Chemical Formula
- C10H8ClNO3
- InChI Key
- GXUUMUNKZDELCQ-UHFFFAOYSA-N
- InChI
- InChI=1S/C10H8ClNO3/c11-7-4-8-6(2-9(13)12-8)1-5(7)3-10(14)15/h1,4H,2-3H2,(H,12,13)(H,14,15)
- IUPAC Name
- 2-(6-chloro-2-oxo-2,3-dihydro-1H-indol-5-yl)acetic acid
- SMILES
- OC(=O)CC1=C(Cl)C=C2NC(=O)CC2=C1
- Reactions
- External Links
- ChemSpider
- 11218050
- Predicted Properties
Property Value Source Water Solubility 0.646 mg/mL ALOGPS logP 1.09 ALOGPS logP 1.31 ChemAxon logS -2.5 ALOGPS pKa (Strongest Acidic) 3.57 ChemAxon pKa (Strongest Basic) -5.5 ChemAxon Physiological Charge -1 ChemAxon Hydrogen Acceptor Count 3 ChemAxon Hydrogen Donor Count 2 ChemAxon Polar Surface Area 66.4 Å2 ChemAxon Rotatable Bond Count 2 ChemAxon Refractivity 55.7 m3·mol-1 ChemAxon Polarizability 20.97 Å3 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five Yes ChemAxon Ghose Filter Yes ChemAxon Veber's Rule No ChemAxon MDDR-like Rule No ChemAxon