| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | BA2DK6L7WE |
| EPA CompTox | DTXSID60172055 |
| InChI Key | LQVPJLFILJGCEX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H11N1O2 |
| Molecular Weight | 165.08 |
| AlogP | 1.23 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 57.93 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1874-85-7 |
| NORMAN SUSDAT | |
| FDA SRS | BA2DK6L7WE |
| PubChem | 293640 |
| ChemSpider | 234263.0 |