| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | AXS9XA3UV7 |
| EPA CompTox | DTXSID80177461 |
| InChI Key | RRJBUFUVPLLLJD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H13N1O4 |
| Molecular Weight | 223.08 |
| AlogP | 2.47 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 69.44 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 22913-12-8 |
| NORMAN SUSDAT | |
| FDA SRS | AXS9XA3UV7 |
| PubChem | 89900 |
| ChemSpider | 81149.0 |