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
Thumb
Synonyms
Not Available
UNII
Not Available
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
ChemSpider
11218050
Predicted Properties
PropertyValueSource
Water Solubility0.646 mg/mLALOGPS
logP1.09ALOGPS
logP1.31ChemAxon
logS-2.5ALOGPS
pKa (Strongest Acidic)3.57ChemAxon
pKa (Strongest Basic)-5.5ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area66.4 Å2ChemAxon
Rotatable Bond Count2ChemAxon
Refractivity55.7 m3·mol-1ChemAxon
Polarizability20.97 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon