HPTE

Ligand id: 2827

Name: HPTE

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 40.46
Molecular weight 315.98
XLogP 4.9
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[2,2,2-trichloro-1-(4-hydroxyphenyl)ethyl]phenol
Database Links
CAS Registry No. 2971-36-0 (source: Scifinder)
ChEMBL Ligand CHEMBL196585
PubChem CID 76302
RCSB PDB Ligand 27N
Search Google for chemical match using the InChIKey IUGDILGOLSSKNE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone IUGDILGOLSSKNE
Search UniChem for chemical match using the InChIKey IUGDILGOLSSKNE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone IUGDILGOLSSKNE