| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | M8SCR6XG2A |
| EPA CompTox | DTXSID80220002 |
| InChI Key | NQMUUQGZZLWYGM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H12N2 |
| Molecular Weight | 136.1 |
| AlogP | 1.11 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 24.92 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 6971-57-9 |
| NORMAN SUSDAT | |
| FDA SRS | M8SCR6XG2A |
| PubChem | 81438 |
| ChemSpider | 73482.0 |