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 ALPHQSLWVSZMJF-UHFFFAOYSA-N
Smiles C[Si](C)(C)C(C=C)C(O)(Cn1cncn1)c2ccc(Cl)cc2
InChI
InChI=1S/C16H22ClN3OSi/c1-5-15(22(2,3)4)16(21,10-20-12-18-11-19-20)13-6-8-14(17)9-7-13/h5-9,11-12,15,21H,1,10H2,2-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H22ClN3OSi
Molecular Weight 335.9

Cross References

Resources Reference
ChEMBL CHEMBL2269849
PubChem 14382508
SureChEMBL SCHEMBL8804481