Molecule Category Free-form
UNII RRZ023OFWL
EPA CompTox DTXSID0020448
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 WIHMGGWNMISDNJ-UHFFFAOYSA-N
Smiles CCC(Cl)Cl
InChI
InChI=1S/C3H6Cl2/c1-2-3(4)5/h3H,2H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H6Cl2
Molecular Weight 112.99
AlogP 1.9
Number of Rotational Bond 1.0
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 78-87-5
ChEMBL CHEMBL2287704
FDA SRS RRZ023OFWL
PubChem 6573
SureChEMBL SCHEMBL74614