| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3YNQ9EN6RL |
| EPA CompTox | DTXSID90181817 |
| InChI Key | IUDKTVXSXWAKJO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H11N1O2 |
| Molecular Weight | 165.08 |
| AlogP | 1.19 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 39.19 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 2739-98-2 |
| NORMAN SUSDAT | |
| FDA SRS | 3YNQ9EN6RL |
| PubChem | 75960 |
| ChemSpider | 68463.0 |