| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | YLB873BH59 |
| EPA CompTox | DTXSID20164153 |
Structure
| InChI Key | GCZZOZBWAZHCAN-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C10H9N3S2 |
| Molecular Weight | 235.02 |
| AlogP | 3.17 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 37.28 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 14901-16-7 |
| NORMAN SUSDAT | |
| FDA SRS | YLB873BH59 |
| PubChem | 719408 |
| ChemSpider | 76304.0 |
CONTENTS
