| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 09I841O866 |
| EPA CompTox | DTXSID7042358 |
Structure
| InChI Key | OVZITGHGWBXFEA-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C13H5Cl2N3 |
| Molecular Weight | 272.99 |
| AlogP | 3.8 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 60.47 |
| Heavy Atoms | 18.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 1086-02-8 |
| NORMAN SUSDAT | |
| FDA SRS | 09I841O866 |
| PubChem | 14146 |
| ChemSpider | 13521.0 |
CONTENTS
