| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 95H6S1X9CC |
Structure
| InChI Key | HBDKFZNDMVLSHM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H11N3O1S1 |
| Molecular Weight | 257.06 |
| AlogP | 2.27 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 58.64 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 57237-97-5 |
| NORMAN SUSDAT | |
| FDA SRS | 95H6S1X9CC |
CONTENTS
