| Synonyms | |
| Status | |
| Molecule Category | Free-form |
| UNII | 89741L759Z |
| EPA CompTox | DTXSID0042244 |
| InChI Key | LGCMKPRGGJRYGM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C13H11NO3 |
| Molecular Weight | 229.24 |
| AlogP | 2.35 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 69.56 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 17.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 526-18-1 |
| ChEBI | 31938 |
| ChEMBL | CHEMBL389507 |
| DrugBank | DB16273 |
| DrugCentral | 2000 |
| FDA SRS | 89741L759Z |
| PubChem | 4602 |
| SureChEMBL | SCHEMBL220088 |
| ZINC | ZINC000000001856 |