| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 40H59YCS67 |
| EPA CompTox | DTXSID9046572 |
Structure
| InChI Key | HPHBOJANXDKUQD-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C3H5N3O1 |
| Molecular Weight | 99.04 |
| AlogP | -0.27 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 82.4 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 140-87-4 |
| NORMAN SUSDAT | |
| FDA SRS | 40H59YCS67 |
| PubChem | 8820 |
| ChemSpider | 8489.0 |
CONTENTS
