| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | D98LNW2P5U |
| EPA CompTox | DTXSID4062804 |
Structure
| InChI Key | ANIJFZVZXZQFDH-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C3H1Br1N2O2S1 |
| Molecular Weight | 207.89 |
| AlogP | 1.81 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 56.03 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3034-48-8 |
| NORMAN SUSDAT | |
| FDA SRS | D98LNW2P5U |
| PubChem | 18211 |
| ChemSpider | 17200.0 |
CONTENTS
