| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | OVP9S5A44W |
| EPA CompTox | DTXSID1020641 |
Structure
| InChI Key | KSKPFCYLLBRSBQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C2H5N3O1S1 |
| Molecular Weight | 119.02 |
| AlogP | -0.06 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 4.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 68.47 |
| Heavy Atoms | 7.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2302-84-3 |
| NORMAN SUSDAT | |
| FDA SRS | OVP9S5A44W |
| PubChem | 2775486 |
| ChemSpider | 2055819.0 |
CONTENTS
