| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 2MR9VJF32M |
| EPA CompTox | DTXSID1046392 |
Structure
| InChI Key | ABWLRVJYVVQTGQ-BJMVGYQFSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H8N4S1 |
| Molecular Weight | 180.05 |
| AlogP | 0.87 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 61.13 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 555-90-8 |
| NORMAN SUSDAT | |
| FDA SRS | 2MR9VJF32M |
| PubChem | 6474573 |
| ChemSpider | 4976517.0 |
CONTENTS
