| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | D23232NSUY |
| EPA CompTox | DTXSID701032152 |
Structure
| InChI Key | MMZMROHDQCJAJT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H5ClO3 |
| Molecular Weight | 135.99 |
| AlogP | 0.62 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 54.37 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 4198-33-8 |
| NORMAN SUSDAT | |
| FDA SRS | D23232NSUY |
| PubChem | 13818649 |
CONTENTS
