| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 4750596FET |
| EPA CompTox | DTXSID40205991 |
| InChI Key | VCYRBORHWHUNIK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C12H7N3O5S1 |
| Molecular Weight | 305.01 |
| AlogP | 2.73 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 115.38 |
| Heavy Atoms | 21.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 574-81-2 |
| NORMAN SUSDAT | |
| FDA SRS | 4750596FET |
| PubChem | 3420028 |
| ChemSpider | 2663697.0 |