| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 9R05QK9RP4 |
| EPA CompTox | DTXSID90185739 |
| InChI Key | FSOPPXYMWZOKRM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H9N1O1 |
| Molecular Weight | 147.07 |
| AlogP | 2.18 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 25.02 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 3189-22-8 |
| NORMAN SUSDAT | |
| FDA SRS | 9R05QK9RP4 |
| PubChem | 76660 |
| ChemSpider | 69122.0 |