| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID50431805 |
| InChI Key | QCLFSYYUWPUWQR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C5H5Cl1O3 |
| Molecular Weight | 147.99 |
| AlogP | 1.28 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 43.35 |
| Heavy Atoms | 9.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 80841-78-7 |
| NORMAN SUSDAT | |
| PubChem | 9855518 |
| ChemSpider | 8031218.0 |