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 FPNVMCMDWZNTEU-UHFFFAOYSA-N
Smiles Fc1cc(Cl)ccc1Br
InChI
InChI=1S/C6H3BrClF/c7-5-2-1-4(8)3-6(5)9/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H3BrClF
Molecular Weight 209.44
AlogP 3.45
Heavy Atoms 9.0

Cross References

Resources Reference
ChEMBL CHEMBL2263227
PubChem 137275
SureChEMBL SCHEMBL118511