iperoxo

Ligand id: 6937

Name: iperoxo

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 30.82
Molecular weight 197.13
XLogP 0.69
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-(4,5-dihydro-1,2-oxazol-3-yloxy)but-2-ynyl-trimethylazanium
Database Links
CAS Registry No. 772325-68-5 (source: Scifinder)
ChEMBL Ligand CHEMBL3121473
PubChem CID 10104167
RCSB PDB Ligand IXO
Search Google for chemical match using the InChIKey WXXOCGISBCTWPW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WXXOCGISBCTWPW
Search UniChem for chemical match using the InChIKey WXXOCGISBCTWPW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WXXOCGISBCTWPW