| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | H2Y1JYN13Q |
| EPA CompTox | DTXSID4060949 |
| InChI Key | ACRWYXSKEHUQDB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H9N1 |
| Molecular Weight | 131.07 |
| AlogP | 2.14 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 23.79 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 645-59-0 |
| NORMAN SUSDAT | |
| FDA SRS | H2Y1JYN13Q |
| PubChem | 12581 |
| ChemSpider | 12061.0 |