lithocholylcholine

Ligand id: 326

Name: lithocholylcholine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 40.46
Molecular weight 448.42
XLogP 8.64
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[2-hydroxy-6-(3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)heptyl]-trimethylazanium
Database Links
PubChem CID 22991950
Search Google for chemical match using the InChIKey KWEWGNPMETZMTR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KWEWGNPMETZMTR
Search UniChem for chemical match using the InChIKey KWEWGNPMETZMTR-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KWEWGNPMETZMTR
Comments
We do not specify any chiral centres in the image of this molecule. ChemSpider ID: 21376328 is an example with stereo chemistry included.