Phyto4Health

1,4-Dichlorobenzene

Representations & DB's id

ChEBI: CHEBI:28618
ChEMBL: CHEMBL190982
PubChem: 4685
IUPAC: 1,4-dichlorobenzene
Standard InChI: InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H
Standard InChI Key: OCJBOOLMMGQPQU-UHFFFAOYSA-N
SMILES: Clc1ccc(cc1)Cl

Molecular propeties

AlogP: 2.99
Hydrogen bonds acceptors: 0
Hydrogen bonds donors: 0
Rotatable bonds: 0
Number of rings: 1
Molecular Weight: 145.97
Topological polar surface area: 0
Number of aromatic rings: 1
Fsp3: 0
Number of carbons: 8

Plant sources

Part of plant Plant name Ref.
PlantCapsella bursa-pastoris

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC5017000 nMCytochrome P450 2A6P11509
IC5016982.44 nMCytochrome P450 2A6P11509
Potency35481.3 nMPrelamin-A/CP02545