| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | B1Q6HX2F69 |
| EPA CompTox | DTXSID60219777 |
| InChI Key | XCENPWBBAXQVCG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H15N1O1 |
| Molecular Weight | 189.12 |
| AlogP | 1.51 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 29.1 |
| Heavy Atoms | 14.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 6952-94-9 |
| NORMAN SUSDAT | |
| FDA SRS | B1Q6HX2F69 |
| PubChem | 81397 |
| ChemSpider | 73445.0 |