| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID30192725 |
| InChI Key | IQMSCTLQIWAFDD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H15N1O4 |
| Molecular Weight | 237.1 |
| AlogP | 1.33 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 55.84 |
| Heavy Atoms | 17.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 39617-05-5 |
| NORMAN SUSDAT | |
| PubChem | 3016098 |
| ChemSpider | 2284102.0 |