bromocresol green

Ligand id: 4530

Name: bromocresol green

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 92.21
Molecular weight 693.73
XLogP 5.29
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3,3-bis(3,5-dibromo-4-hydroxy-2-methylphenyl)-3H-2,1$l^{6}-benzoxathiole-1,1-dione
Database Links
CAS Registry No. 76-60-8 (source: Scifinder)
ChEMBL Ligand CHEMBL145704
PubChem CID 6451
Search Google for chemical match using the InChIKey FRPHFZCDPYBUAU-UHFFFAOYSA-N
Search Google for chemicals with the same backbone FRPHFZCDPYBUAU
Search UniChem for chemical match using the InChIKey FRPHFZCDPYBUAU-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone FRPHFZCDPYBUAU
Wikipedia Bromocresol_green