| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID1067172 |
| InChI Key | GHZNIHNOUZAYQX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C19H22Br1N5O5S1 |
| Molecular Weight | 511.05 |
| AlogP | 5.63 |
| Hydrogen Bond Acceptor | 8.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 8.0 |
| Polar Surface Area | 137.83 |
| Heavy Atoms | 31.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 25986-44-1 |
| NORMAN SUSDAT | |
| PubChem | 117701 |
| ChemSpider | 105181.0 |