| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID801005582 |
Structure
| InChI Key | LWDKBLSLKFREPX-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H13ClO3 |
| Molecular Weight | 192.06 |
| AlogP | 1.53 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 43.37 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 85153-47-5 |
| NORMAN SUSDAT | |
| PubChem | 21149625 |
CONTENTS
