| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 7ZJ8PWY0XD |
| EPA CompTox | DTXSID7046388 |
Structure
| InChI Key | UPOYFZYFGWBUKL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H9N3S1 |
| Molecular Weight | 191.05 |
| AlogP | 1.8 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 65.66 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 490-55-1 |
| NORMAN SUSDAT | |
| FDA SRS | 7ZJ8PWY0XD |
| PubChem | 10275 |
| ChemSpider | 9855.0 |
CONTENTS
