| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID5070947 |
Structure
| InChI Key | NOEDYYVBOOXTSI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H12Cl2N2O1 |
| Molecular Weight | 234.03 |
| AlogP | 2.37 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 58.28 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 67990-12-9 |
| NORMAN SUSDAT | |
| PubChem | 106308 |
| ChemSpider | 95735.0 |
CONTENTS
