Molecule Category Free-form
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 BDJZCCWUSOZUQG-UHFFFAOYSA-N
Smiles Fc1ccc(Cl)cc1Cl
InChI
InChI=1S/C6H3Cl2F/c7-4-1-2-6(9)5(8)3-4/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H3Cl2F
Molecular Weight 164.99
AlogP 3.36
Heavy Atoms 9.0

Cross References

Resources Reference
ChEMBL CHEMBL2263223
PubChem 123112
SureChEMBL SCHEMBL530773