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 ... |
InChI Key | XQAYFEWXYXLECU-UHFFFAOYSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C26H36N2O3S | |
Molecular Weight | 456.64 | |
AlogP | 6.5 | |
Hydrogen Bond Acceptor | 4.0 | |
Hydrogen Bond Donor | 0.0 | |
Number of Rotational Bond | 8.0 | |
Polar Surface Area | 75.15 | |
Molecular species | NEUTRAL | |
Aromatic Rings | 2.0 | |
Heavy Atoms | 32.0 |
Resources | Reference | |
---|---|---|
ChEMBL | CHEMBL2252262 | |
PubChem | 24741604 |