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 KBKYNXFBFKZUIJ-UHFFFAOYSA-N
Smiles C[Si](C)(C)CCCC(O)(Cn1cncn1)c2ccc(F)cc2F
InChI
InChI=1S/C16H23F2N3OSi/c1-23(2,3)8-4-7-16(22,10-21-12-19-11-20-21)14-6-5-13(17)9-15(14)18/h5-6,9,11-12,22H,4,7-8,10H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H23F2N3OSi
Molecular Weight 339.46

Cross References

Resources Reference
ChEMBL CHEMBL2268760
PubChem 11121337