| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 6FFV1V867C |
| EPA CompTox | DTXSID7057816 |
Structure
| InChI Key | XURCIPRUUASYLR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C17H19N3O2S1 |
| Molecular Weight | 329.12 |
| AlogP | 3.88 |
| Hydrogen Bond Acceptor | 5.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 60.03 |
| Heavy Atoms | 23.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 73590-85-9 |
| NORMAN SUSDAT | |
| FDA SRS | 6FFV1V867C |
| PubChem | 155794 |
| ChemSpider | 137229.0 |
CONTENTS
