| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | KUS1I4G36I |
| EPA CompTox | DTXSID60181480 |
Structure
| InChI Key | OUYDEKFRLSFDMU-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H13Cl1O3 |
| Molecular Weight | 228.06 |
| AlogP | 2.59 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 2698-38-6 |
| NORMAN SUSDAT | |
| FDA SRS | KUS1I4G36I |
| PubChem | 17603 |
| ChemSpider | 16643.0 |
CONTENTS
