| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4YL9C5FC37 |
| EPA CompTox | DTXSID20198630 |
| InChI Key | NETAIQQWYLQFTM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H11N1 |
| Molecular Weight | 109.09 |
| AlogP | 2.26 |
| Hydrogen Bond Acceptor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 23.79 |
| Heavy Atoms | 8.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 50592-60-4 |
| NORMAN SUSDAT | |
| FDA SRS | 4YL9C5FC37 |
| PubChem | 3016530 |
| ChemSpider | 2284464.0 |