compound 14 [PMID: 19191557]

Ligand id: 3125

Name: compound 14 [PMID: 19191557]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 147.81
Molecular weight 355
XLogP 2.03
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-(3-phenoxyphenyl)-1-phosphonatoethane-1-sulfonate
Database Links
ChEMBL Ligand CHEMBL1207945
PubChem CID 56947013
Search Google for chemical match using the InChIKey QZTDQEVQGQAOKB-UHFFFAOYSA-K
Search Google for chemicals with the same backbone QZTDQEVQGQAOKB
Search UniChem for chemical match using the InChIKey QZTDQEVQGQAOKB-UHFFFAOYSA-K
Search UniChem for chemicals with the same backbone QZTDQEVQGQAOKB
Comments
ChEMBL represents this compound without the charges.