3,3′,5,5′-Tetrabromobisphenol A Next Previous

ChEMBL ID CHEMBL184450
PubChem CID 6618
DrugBank Accession Number
ClinicalTrials 3,3′,5,5′-Tetrabromobisphenol A
Molecular Formula C15H12Br4O2
Inchikey VEORPZCZECFIRK-UHFFFAOYSA-N
Cas Number 79-94-7

Smiles
CC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1

Synonyms
3,3',5,5'-Tetrabromobisphenol A

Compound Properties
Drug/Drug-like Properties
Known Drug
Medchem Alerts None
Passes of Rule of 3
Rule of 5 Violations 2
Molecular Species NEUTRAL
Molecular Properties
Molecular Weight 543.87
Rotatable Bonds 2
Acidic pKa (ACD) -
Basic pKa (ACD) -
LogP (ACD) -
LogD (ACD) -
ALogP 6.47
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