| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | R9M9Y9Q3C7 |
| EPA CompTox | DTXSID00168735 |
| InChI Key | RUFPEZGNIWGNQW-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H19N3 |
| Molecular Weight | 145.16 |
| AlogP | -0.47 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 50.08 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 16968-18-6 |
| NORMAN SUSDAT | |
| FDA SRS | R9M9Y9Q3C7 |
| PubChem | 86888 |
| ChemSpider | 78385.0 |