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 RWUUSBHONZZWRH-UHFFFAOYSA-N
Smiles CCN(CC)C(=O)n1cnc(n1)[Se](=O)(=O)c2ccc(F)c(Cl)c2
InChI
InChI=1S/C13H14ClFN4O3Se/c1-3-18(4-2)13(20)19-8-16-12(17-19)23(21,22)9-5-6-11(15)10(14)7-9/h5-8H,3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H14ClFN4O3Se
Molecular Weight 407.69

Cross References

Resources Reference
ChEMBL CHEMBL2253230
PubChem 16085819