| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | EYE32X3W6X |
| EPA CompTox | DTXSID20187049 |
| InChI Key | ZBAMQLFFVBPAOX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H12N2 |
| Molecular Weight | 136.1 |
| AlogP | 1.19 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 24.92 |
| Heavy Atoms | 10.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 33403-97-3 |
| NORMAN SUSDAT | |
| FDA SRS | EYE32X3W6X |
| PubChem | 96681 |
| ChemSpider | 87288.0 |