| Molecule Category | Free-form |
| UNII | 6EJW8B6WEY |
| EPA CompTox | DTXSID801015438 |
| 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 | MEHLEOUIWVWVBF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H7NO2 |
| Molecular Weight | 125.13 |
| AlogP | 0.5 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 50.09 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 15667-63-7 |
| ChEMBL | CHEMBL2271401 |
| FDA SRS | 6EJW8B6WEY |
| PubChem | 85891 |
| SureChEMBL | SCHEMBL347682 |
CONTENTS
