| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID9065730 |
Structure
| InChI Key | DHELIGKVOGTMGF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C7H5Cl1N4 |
| Molecular Weight | 180.02 |
| AlogP | 1.32 |
| Hydrogen Bond Acceptor | 4.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 43.6 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 14210-25-4 |
| NORMAN SUSDAT | |
| PubChem | 84262 |
| ChemSpider | 76019.0 |
CONTENTS
