| 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 ... |
| InChI Key | ZMFYJRAQJCXXLT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C20H11Cl2N7O2S |
| Molecular Weight | 484.32 |
| AlogP | 5.55 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 142.58 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 5.0 |
| Heavy Atoms | 32.0 |
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL2282279 |
| PubChem | 71597908 |