| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | A5RRM67QUG |
| EPA CompTox | DTXSID8063250 |
| InChI Key | BIAAQBNMRITRDV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C4H9Cl1O2 |
| Molecular Weight | 124.03 |
| AlogP | 0.85 |
| Hydrogen Bond Acceptor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 18.46 |
| Heavy Atoms | 7.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 3970-21-6 |
| NORMAN SUSDAT | |
| FDA SRS | A5RRM67QUG |
| PubChem | 77590 |
| ChemSpider | 69995.0 |