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 WNHJHSNSWHYGRQ-UHFFFAOYSA-N
Smiles CSc1cnc2ccccc2c1[Se]CC#C
InChI
InChI=1S/C13H11NSSe/c1-3-8-16-13-10-6-4-5-7-11(10)14-9-12(13)15-2/h1,4-7,9H,8H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H11NSSe
Molecular Weight 292.26

Cross References

Resources Reference
ChEMBL CHEMBL2259991
PubChem 5248598