| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID90193470 |
Structure
| InChI Key | XWRZKLKALVJDDS-REOHCLBHSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H9N3O2S1 |
| Molecular Weight | 163.04 |
| AlogP | -1.15 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 5.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 99.2 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 40454-21-5 |
| NORMAN SUSDAT | |
| PubChem | 7408679 |
| ChemSpider | 35263.0 |
CONTENTS
