ML233

Ligand id: 6314

Name: ML233

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 81.18
Molecular weight 359.12
XLogP 4.46
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[(1E)-5-cyclohexyl-2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene]amino benzenesulfonate
Database Links
PubChem CID 46905036
Search Google for chemical match using the InChIKey RSMZOLWJZGIWOV-CZIZESTLSA-N
Search Google for chemicals with the same backbone RSMZOLWJZGIWOV
Search UniChem for chemical match using the InChIKey RSMZOLWJZGIWOV-CZIZESTLSA-N
Search UniChem for chemicals with the same backbone RSMZOLWJZGIWOV