| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID40358476 |
| InChI Key | MXQUEDUMKWBYHI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C17H20N4O2 |
| Molecular Weight | 312.16 |
| AlogP | 2.67 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 72.8 |
| Heavy Atoms | 23.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 139756-21-1 |
| NORMAN SUSDAT | |
| PubChem | 899745 |
| ChemSpider | 787185.0 |