hemicholinium mustard

Ligand id: 5502

Name: hemicholinium mustard

Abbreviated name: HCM

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 65.4
Molecular weight 568.06
XLogP 5.43
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-(2-bromoethyl)-2-(4-{4-[4-(2-bromoethyl)-2-hydroxymorpholin-2-yl]phenyl}phenyl)morpholin-2-ol
Database Links
CAS Registry No. 83291-91-2
ChEMBL Ligand CHEMBL10936
PubChem CID 196143
Search Google for chemical match using the InChIKey DEHLWSSPVQFNBM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DEHLWSSPVQFNBM
Search UniChem for chemical match using the InChIKey DEHLWSSPVQFNBM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DEHLWSSPVQFNBM