| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | V96F666S32 |
| EPA CompTox | DTXSID1061572 |
| InChI Key | NXCKJENHTITELM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H8N2O4S2 |
| Molecular Weight | 307.99 |
| AlogP | 4.3 |
| Hydrogen Bond Acceptor | 6.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 86.28 |
| Heavy Atoms | 20.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1155-00-6 |
| NORMAN SUSDAT | |
| FDA SRS | V96F666S32 |
| PubChem | 70861 |
| ChemSpider | 64024.0 |