| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID20160579 |
Structure
| InChI Key | HZDNNJABYXNPPV-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H5Cl1O3 |
| Molecular Weight | 135.99 |
| AlogP | 0.31 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 43.37 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 13831-31-7 |
| NORMAN SUSDAT | |
| PubChem | 26297 |
| ChemSpider | 24501.0 |
CONTENTS
