bisphenol A

Ligand id: 7865

Name: bisphenol A

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 0
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 40.46
Molecular weight 228.12
XLogP 4.94
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[2-(4-hydroxyphenyl)propan-2-yl]phenol
Synonyms
BPA
Database Links
CAS Registry No. 80-05-7
ChEMBL Ligand CHEMBL418971
DrugBank Ligand DB06973
NURSA Ligand 10.1621/U53C7ZG6JE
PubChem CID 6623
RCSB PDB Ligand 2OH
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Wikipedia Bisphenol A
Comments
Bisphenol A acts as an estrogen mimic [3-4] and may also have anti-androgenic activity [1].