| 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 | IFELZMOWNHMHCP-KNJPPFQYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C45H50Cl2N4O2 |
| Molecular Weight | 749.81 |
| AlogP | 13.25 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 12.0 |
| Polar Surface Area | 65.34 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 4.0 |
| Heavy Atoms | 53.0 |
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL2282247 |