| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | I670DAL4SZ |
| EPA CompTox | DTXSID0049028 |
| InChI Key | MXOAEAUPQDYUQM-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C9H11Cl1O3 |
| Molecular Weight | 202.04 |
| AlogP | 1.07 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 49.69 |
| Heavy Atoms | 13.0 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 104-29-0 |
| NORMAN SUSDAT | |
| FDA SRS | I670DAL4SZ |
| PubChem | 7697 |
| ChemSpider | 7411.0 |