| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID40866566 |
Structure
| InChI Key | CXAPGRNCBJXCEF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H12N4 |
| Molecular Weight | 176.11 |
| AlogP | 1.27 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 63.18 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 56488-00-7 |
| NORMAN SUSDAT | |
| PubChem | 91890 |
CONTENTS
