| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID90233360 |
Structure
| InChI Key | LDTCWISGJYTXDC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H5N3O2S1 |
| Molecular Weight | 195.01 |
| AlogP | 1.62 |
| Hydrogen Bond Acceptor | 4.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 82.78 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 84387-89-3 |
| NORMAN SUSDAT | |
| PubChem | 158638 |
| ChemSpider | 139553.0 |
CONTENTS
