| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | U54OR2E97E |
| EPA CompTox | DTXSID0060804 |
Structure
| InChI Key | GMEHFXXZSWDEDB-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C3H8N2S1 |
| Molecular Weight | 104.04 |
| AlogP | 0.46 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 35.88 |
| Heavy Atoms | 6.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 625-53-6 |
| NORMAN SUSDAT | |
| FDA SRS | U54OR2E97E |
| PubChem | 3032338 |
| ChemSpider | 2297335.0 |
CONTENTS
