| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | X66B6HB89Z |
| EPA CompTox | DTXSID2072833 |
Structure
| InChI Key | QEROATAKCLNWHV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H8N2O2S1 |
| Molecular Weight | 268.03 |
| AlogP | 3.77 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 58.86 |
| Heavy Atoms | 19.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 75790-87-3 |
| NORMAN SUSDAT | |
| FDA SRS | X66B6HB89Z |
| PubChem | 62273 |
| ChemSpider | 56074.0 |
CONTENTS
