| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 76TE3V6KV3 |
| EPA CompTox | DTXSID50188766 |
Structure
| InChI Key | JUHXSFLHDUCNCZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H7Cl1O3 |
| Molecular Weight | 138.01 |
| AlogP | -0.24 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 46.53 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 35280-53-6 |
| NORMAN SUSDAT | |
| FDA SRS | 76TE3V6KV3 |
| PubChem | 3015756 |
| ChemSpider | 2283827.0 |
CONTENTS
