| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID50203307 |
| InChI Key | VQQKSYZYVZFNSY-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H10N1O7P1S1 |
| Molecular Weight | 306.99 |
| AlogP | 2.19 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 108.13 |
| Heavy Atoms | 19.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 54812-31-6 |
| NORMAN SUSDAT | |
| PubChem | 41194 |
| ChemSpider | 37594.0 |