| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 25TMC6MV4P |
| EPA CompTox | DTXSID8061347 |
| InChI Key | PFBQVGXIMLXCQB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H11N1O4 |
| Molecular Weight | 221.07 |
| AlogP | 2.17 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 69.44 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 953-26-4 |
| NORMAN SUSDAT | |
| FDA SRS | 25TMC6MV4P |
| PubChem | 95370 |
| ChemSpider | 86067.0 |