compound 12 [PMID: 19800804]

Ligand id: 6989

Name: compound 12 [PMID: 19800804]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 83.91
Molecular weight 297.06
XLogP 4.15
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-(4-methylphenoxy)-1,3-dioxoisoindole-2-carboxylic acid
Database Links
GtoPdb PubChem SID 178103568
PubChem CID 73755253
Search Google for chemical match using the InChIKey QSPCKQSNISDWOH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QSPCKQSNISDWOH
Search UniChem for chemical match using the InChIKey QSPCKQSNISDWOH-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QSPCKQSNISDWOH