| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 1GR77A37Z5 |
| EPA CompTox | DTXSID6020066 |
Structure
| InChI Key | MIHADVKEHAFNPG-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C3H3N3O2S1 |
| Molecular Weight | 144.99 |
| AlogP | 0.46 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 82.78 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 121-66-4 |
| NORMAN SUSDAT | |
| FDA SRS | 1GR77A37Z5 |
| PubChem | 8486 |
| ChemSpider | 8173.0 |
CONTENTS
