| Synonyms | |
| Molecule Category | Free-form |
| UNII | 8Q07182D0T |
| 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 ... |
| InChI Key | HBROZNQEVUILML-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H7NO3 |
| Molecular Weight | 153.14 |
| AlogP | 0.6 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 69.56 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| ChEMBL | CHEMBL309339 |
| FDA SRS | 8Q07182D0T |
| PDB | SHA |
| PubChem | 66644 |
| SureChEMBL | SCHEMBL21530845 |
| ZINC | ZINC18169763 |