| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 34M6VU8U7X |
| EPA CompTox | DTXSID0051526 |
| InChI Key | PACGLQCRGWFBJH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H9N1O1 |
| Molecular Weight | 147.07 |
| AlogP | 1.76 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 33.02 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 104-47-2 |
| NORMAN SUSDAT | |
| FDA SRS | 34M6VU8U7X |
| PubChem | 66031 |
| ChemSpider | 59422.0 |