| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3327Q8RB9O |
| EPA CompTox | DTXSID3037703 |
Structure
| InChI Key | QEGVVEOAVNHRAA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H11Cl1N2O4S1 |
| Molecular Weight | 326.01 |
| AlogP | 3.0 |
| Hydrogen Bond Acceptor | 6.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 81.54 |
| Heavy Atoms | 21.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 123342-93-8 |
| NORMAN SUSDAT | |
| FDA SRS | 3327Q8RB9O |
| PubChem | 91781 |
| ChemSpider | 82877.0 |
CONTENTS
