MRS1088

Ligand id: 429

Name: MRS1088

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 26.3
Molecular weight 289.99
XLogP 5.26
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3,6-dichloro-2-phenylchromen-4-one
Synonyms
3,6-dichloroflavone | MRS-1088 | NSC-74876
Database Links
BindingDB Ligand 50051334
CAS Registry No. 13179-00-5
ChEMBL Ligand CHEMBL309566
PubChem CID 252696
Search Google for chemical match using the InChIKey PTNKLWUWHUGKTA-UHFFFAOYSA-N
Search Google for chemicals with the same backbone PTNKLWUWHUGKTA
Search UniChem for chemical match using the InChIKey PTNKLWUWHUGKTA-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PTNKLWUWHUGKTA