| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4N8R018QB0 |
| EPA CompTox | DTXSID60862525 |
Structure
| InChI Key | DUOHVNSMLSPTMI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H11N3O3 |
| Molecular Weight | 185.08 |
| AlogP | 0.48 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 81.19 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1077-93-6 |
| NORMAN SUSDAT | |
| FDA SRS | 4N8R018QB0 |
| PubChem | 68944 |
| ChemSpider | 62169.0 |
CONTENTS
