| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID7064108 |
| InChI Key | GXAWUBYDAYVYDD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H12N3 |
| Molecular Weight | 162.1 |
| AlogP | 2.91 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 40.18 |
| Heavy Atoms | 12.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 6087-59-8 |
| NORMAN SUSDAT | |
| PubChem | 24213170 |
| ChemSpider | 21172275.0 |