Phyto4Health

1,2-Dichlorobenzene

Representations & DB's id

ChEBI: CHEBI:35290
ChEMBL: CHEMBL298461
PubChem: 7239
IUPAC: 1,2-dichlorobenzene
Standard InChI: InChI=1S/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H
Standard InChI Key: RFFLAFLAYFXFSW-UHFFFAOYSA-N
SMILES: Clc1ccccc1Cl

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.
PlantVitis vinifera

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency5623.4 nMPrelamin-A/CP02545
Potency7943.3 nMThyroid stimulating hormone receptorP16473
Potency7943.3 nMThyroid stimulating hormone receptorP16473
Potency59557.2 nMNuclear factor erythroid 2-related factor 2Q16236
Potency16785.5 nMNuclear receptor ROR-gammaP51449