| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | RJM84D83B7 |
| EPA CompTox | DTXSID2065048 |
| InChI Key | PGUPJAPHYIEKLT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H7N1O2S1 |
| Molecular Weight | 169.02 |
| AlogP | 1.26 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 50.19 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 10351-19-6 |
| NORMAN SUSDAT | |
| FDA SRS | RJM84D83B7 |
| PubChem | 82574 |
| ChemSpider | 74517.0 |