| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 93M09WW4RU |
| EPA CompTox | DTXSID60895015 |
| InChI Key | KCFYEAOKVJSACF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C22H25BrN2O3S |
| Molecular Weight | 476.08 |
| AlogP | 5.18 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 54.7 |
| Heavy Atoms | 29.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 131707-25-0 |
| NORMAN SUSDAT | |
| FDA SRS | 93M09WW4RU |
| PubChem | 131411 |