| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | E2EV7ZDD1M |
| EPA CompTox | DTXSID70204396 |
Structure
| InChI Key | YFTWHEBLORWGNI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H8N8O2S1 |
| Molecular Weight | 292.05 |
| AlogP | 0.56 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 142.17 |
| Heavy Atoms | 20.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 5581-52-2 |
| NORMAN SUSDAT | |
| FDA SRS | E2EV7ZDD1M |
| PubChem | 3379405 |
| ChemSpider | 2624658.0 |
CONTENTS
