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 LHMRUHFTXKQVQU-UHFFFAOYSA-N
Smiles Cc1ccc(cc1)C(O)(CC[Si](C)(C)C)Cn2cncn2
InChI
InChI=1S/C16H25N3OSi/c1-14-5-7-15(8-6-14)16(20,9-10-21(2,3)4)11-19-13-17-12-18-19/h5-8,12-13,20H,9-11H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H25N3OSi
Molecular Weight 303.47

Cross References

Resources Reference
ChEMBL CHEMBL2268753