| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | L9DTJ52EBF |
| EPA CompTox | DTXSID1068350 |
| InChI Key | NDDRUUNXMMRCIV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C6H13Cl1O2 |
| Molecular Weight | 152.06 |
| AlogP | 1.28 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 6.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 9.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 41771-35-1 |
| NORMAN SUSDAT | |
| FDA SRS | L9DTJ52EBF |
| PubChem | 170577 |
| ChemSpider | 149130.0 |