| 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 ... |
Structure
| InChI Key | IXRSRSAIQNFEBQ-DHZHZOJOSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C19H13NO3 |
| Molecular Weight | 303.31 |
| AlogP | 4.5 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 62.89 |
| Heavy Atoms | 23.0 |
Cross References
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL1096286 |
| PubChem | 5371608 |
| ZINC | ZINC04795882 |
CONTENTS
