| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 583O01BJ32 |
| EPA CompTox | DTXSID50186848 |
Structure
| InChI Key | BRMWTNUJHUMWMS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H11N3O2 |
| Molecular Weight | 169.09 |
| AlogP | -0.63 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 81.14 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 332-80-9 |
| NORMAN SUSDAT | |
| FDA SRS | 583O01BJ32 |
| PubChem | 25201623 |
| ChemSpider | 312567.0 |
CONTENTS
