Molecule Category Free-form
UNII SR71OVZ2OZ
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
ChEMBL CHEMBL2287704
FDA SRS SR71OVZ2OZ
PubChem 6573
SureChEMBL SCHEMBL74614