| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 79V56TDI6G |
| EPA CompTox | DTXSID40871559 |
| InChI Key | PAPMYQLKLNRZIR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H15NO4 |
| Molecular Weight | 237.1 |
| AlogP | 0.9 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 51.16 |
| Heavy Atoms | 17.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 82-54-2 |
| NORMAN SUSDAT | |
| FDA SRS | 79V56TDI6G |
| PubChem | 6715 |