| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | IOL9MRR16B |
| EPA CompTox | DTXSID80147149 |
| InChI Key | JJVJYPSXZCEIEQ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C14H11Cl1O2 |
| Molecular Weight | 246.04 |
| AlogP | 3.58 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 26.3 |
| Heavy Atoms | 17.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 10547-60-1 |
| NORMAN SUSDAT | |
| FDA SRS | IOL9MRR16B |
| PubChem | 82719 |
| ChemSpider | 74649.0 |