| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | NS92Z2IS34 |
| EPA CompTox | DTXSID50166100 |
| InChI Key | KTOBUCHVPBPHMK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C11H13N1O4 |
| Molecular Weight | 223.08 |
| AlogP | 1.44 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 65.49 |
| Heavy Atoms | 16.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 15658-60-3 |
| NORMAN SUSDAT | |
| FDA SRS | NS92Z2IS34 |
| PubChem | 254510 |
| ChemSpider | 223084.0 |