| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | JNH3UA8XDC |
| EPA CompTox | DTXSID40195101 |
Structure
| InChI Key | WQFWIVTXNKRNJZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H11N3S1 |
| Molecular Weight | 169.07 |
| AlogP | 0.55 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 28.16 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 42270-37-1 |
| NORMAN SUSDAT | |
| FDA SRS | JNH3UA8XDC |
| PubChem | 911806 |
| ChemSpider | 643395.0 |
CONTENTS
