| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 40UQ1I362I |
| EPA CompTox | DTXSID6063018 |
Structure
| InChI Key | MVVGSPCXHRFDDR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H9NOS |
| Molecular Weight | 227.04 |
| AlogP | 3.67 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 33.12 |
| Heavy Atoms | 16.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3411-95-8 |
| NORMAN SUSDAT | |
| FDA SRS | 40UQ1I362I |
| PubChem | 18874 |
CONTENTS
