| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | D7F04498AY |
| EPA CompTox | DTXSID7072701 |
Structure
| InChI Key | XYHPPOMSLGJAAM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H10N2S1 |
| Molecular Weight | 154.06 |
| AlogP | 1.76 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 25.78 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 72987-62-3 |
| NORMAN SUSDAT | |
| FDA SRS | D7F04498AY |
| PubChem | 175366 |
| ChemSpider | 152817.0 |
CONTENTS
