| Synonyms | |
| Molecule Category | Free-form |
| UNII | 48B18Q9B8E |
| EPA CompTox | DTXSID0022060 |
| 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 | CMWKITSNTDAEDT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H5NO3 |
| Molecular Weight | 151.12 |
| AlogP | 1.48 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 62.89 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 552-89-6 |
| ChEMBL | CHEMBL166559 |
| FDA SRS | 48B18Q9B8E |
| PubChem | 11101 |
| SureChEMBL | SCHEMBL5654 |
| ZINC | ZINC00164601 |
CONTENTS
