| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | JA4EG94HCX |
| EPA CompTox | DTXSID00964355 |
Structure
| InChI Key | IMXYRSSHUQHQBH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H10N2O2S |
| Molecular Weight | 186.05 |
| AlogP | 1.67 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 44.12 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 497-98-3 |
| NORMAN SUSDAT | |
| FDA SRS | JA4EG94HCX |
| PubChem | 68132 |
CONTENTS
