| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4Q1Q4V31K8 |
| EPA CompTox | DTXSID5057705 |
Structure
| InChI Key | LXFKHPXXAPOYCC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H9N3O2 |
| Molecular Weight | 155.07 |
| AlogP | -0.92 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 75.76 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 300-22-1 |
| NORMAN SUSDAT | |
| FDA SRS | 4Q1Q4V31K8 |
CONTENTS
