| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID5068443 |
| InChI Key | BPCNOAXJFXTTQY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H13N1O3S1 |
| Molecular Weight | 251.06 |
| AlogP | 1.19 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 80.39 |
| Heavy Atoms | 17.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 43001-81-6 |
| NORMAN SUSDAT | |
| PubChem | 170719 |
| ChemSpider | 149253.0 |