| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3FAF6FN2L2 |
| EPA CompTox | DTXSID60220000 |
| InChI Key | DNBWGFKLIBQQSL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H10N2 |
| Molecular Weight | 122.08 |
| AlogP | 0.8 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 24.92 |
| Heavy Atoms | 9.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 6971-44-4 |
| NORMAN SUSDAT | |
| FDA SRS | 3FAF6FN2L2 |
| PubChem | 81436 |
| ChemSpider | 73480.0 |