| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | BUH235J3GY |
| EPA CompTox | DTXSID10193997 |
Structure
| InChI Key | DHTBORBAEQJWLZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C3H4N4O1S1 |
| Molecular Weight | 144.01 |
| AlogP | -0.28 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 84.39 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4100-19-0 |
| NORMAN SUSDAT | |
| FDA SRS | BUH235J3GY |
| PubChem | 77735 |
| ChemSpider | 70135.0 |
CONTENTS
