| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID7071105 |
| InChI Key | MSZSVSAHVAQWOK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C19H21N5O8S1 |
| Molecular Weight | 479.11 |
| AlogP | 4.22 |
| Hydrogen Bond Acceptor | 12.0 |
| Number of Rotational Bond | 11.0 |
| Polar Surface Area | 166.84 |
| Heavy Atoms | 33.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 68110-29-2 |
| NORMAN SUSDAT | |
| PubChem | 106619 |
| ChemSpider | 95960.0 |