| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | QV37THH6SK |
| EPA CompTox | DTXSID00173541 |
| InChI Key | VGVRFARTWVJNQC-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C8H7Cl2N1O2 |
| Molecular Weight | 218.99 |
| AlogP | 2.91 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 53.31 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1982-42-9 |
| NORMAN SUSDAT | |
| FDA SRS | QV37THH6SK |
| PubChem | 74798 |
| ChemSpider | 67366.0 |