| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | KXU2Q4VJ8T |
| EPA CompTox | DTXSID50241805 |
| InChI Key | NVTHHBZDNKNEDB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H19N3 |
| Molecular Weight | 229.16 |
| AlogP | 1.76 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 39.06 |
| Heavy Atoms | 17.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 953-79-7 |
| NORMAN SUSDAT | |
| FDA SRS | KXU2Q4VJ8T |
| PubChem | 70378 |
| ChemSpider | 63559.0 |