Molecule Category Free-form
UNII 9H780918D0
EPA CompTox DTXSID1022057
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key UOORRWUZONOOLO-OWOJBTEDSA-N
Smiles ClC\C=C\Cl
InChI
InChI=1S/C3H4Cl2/c4-2-1-3-5/h1-2H,3H2/b2-1+

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H4Cl2
Molecular Weight 110.97
AlogP 1.52
Number of Rotational Bond 1.0
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 542-75-6
ChEMBL CHEMBL155926
FDA SRS 9H780918D0
PubChem 24726
SureChEMBL SCHEMBL33876
ZINC ZINC01530489