| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 0D58F84LSU |
| EPA CompTox | DTXSID0021129 |
Structure
| InChI Key | QKFJKGMPGYROCL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H5N1S1 |
| Molecular Weight | 135.01 |
| AlogP | 2.42 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 12.36 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 103-72-0 |
| NORMAN SUSDAT | |
| FDA SRS | 0D58F84LSU |
| PubChem | 7673 |
| ChemSpider | 7390.0 |
CONTENTS
