| Molecule Category | Free-form |
| UNII | QJ69FHE7Y3 |
| EPA CompTox | DTXSID1062259 |
| 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 | VNHGETRQQSYUGZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C12H9NO3 |
| Molecular Weight | 215.2 |
| AlogP | 3.28 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 55.05 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2216-12-8 |
| ChEMBL | CHEMBL2270123 |
| FDA SRS | QJ69FHE7Y3 |
| PubChem | 16661 |
| SureChEMBL | SCHEMBL238962 |
| ZINC | ZINC00159534 |
CONTENTS
