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 ATVYWPDQRMWKSJ-UHFFFAOYSA-N
Smiles OCC#CCSc1cnc2ccccc2c1[Se]CC#CCCl
InChI
InChI=1S/C17H14ClNOSSe/c18-9-3-6-12-22-17-14-7-1-2-8-15(14)19-13-16(17)21-11-5-4-10-20/h1-2,7-8,13,20H,9-12H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H14ClNOSSe
Molecular Weight 394.78

Cross References

Resources Reference
ChEMBL CHEMBL2261849
PubChem 76330249