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 | WAJOQEHGHWBAMO-UHFFFAOYSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C20H19F4IN2O4S | |
Molecular Weight | 586.34 | |
AlogP | 3.73 | |
Hydrogen Bond Acceptor | 4.0 | |
Hydrogen Bond Donor | 2.0 | |
Number of Rotational Bond | 7.0 | |
Polar Surface Area | 100.72 | |
Molecular species | NEUTRAL | |
Aromatic Rings | 2.0 | |
Heavy Atoms | 32.0 |
Resources | Reference | |
---|---|---|
ChEMBL | CHEMBL2229634 | |
PubChem | 49788283 |