| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID60171422 |
Structure
| InChI Key | HMSBXLTWCMFPDZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H5Cl2N3O1 |
| Molecular Weight | 192.98 |
| AlogP | 1.58 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 47.9 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 18343-30-1 |
| NORMAN SUSDAT | |
| PubChem | 29035 |
| ChemSpider | 27011.0 |
CONTENTS
