| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 6KB2H8FE5Q |
| EPA CompTox | DTXSID60185322 |
Structure
| InChI Key | GPIQOFWTZXXOOV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H6Cl1N3O2 |
| Molecular Weight | 175.01 |
| AlogP | 0.54 |
| Hydrogen Bond Acceptor | 5.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 57.13 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 3140-73-6 |
| NORMAN SUSDAT | |
| FDA SRS | 6KB2H8FE5Q |
| PubChem | 18450 |
| ChemSpider | 17426.0 |
CONTENTS
