| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | CQE9J25ZES |
| EPA CompTox | DTXSID10171356 |
| InChI Key | PPINMMULCRBDOS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C7H5Cl1O3 |
| Molecular Weight | 171.99 |
| AlogP | 1.74 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 57.53 |
| Heavy Atoms | 11.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 1829-32-9 |
| NORMAN SUSDAT | |
| FDA SRS | CQE9J25ZES |
| PubChem | 74585 |
| ChemSpider | 67162.0 |