| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID80177668 |
Structure
| InChI Key | JRPIMCOKQWCEAO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H18N6O2 |
| Molecular Weight | 290.15 |
| AlogP | -1.31 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 5.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 124.91 |
| Heavy Atoms | 21.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 23099-64-1 |
| NORMAN SUSDAT | |
| PubChem | 89999 |
| ChemSpider | 81245.0 |
CONTENTS
