| Molecule Category | Free-form |
| UNII | NYH7Y08IPM |
| 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 | WFDXOXNFNRHQEC-LGMDPLHJSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C22H17N3O5 |
| Molecular Weight | 403.39 |
| AlogP | 3.87 |
| Hydrogen Bond Acceptor | 8.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 103.56 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 3.0 |
| Heavy Atoms | 30.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL2286759 |
| FDA SRS | NYH7Y08IPM |
| PubChem | 6537969 |
| SureChEMBL | SCHEMBL4447188 |
CONTENTS
