| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | X0FP3I203R |
| EPA CompTox | DTXSID60939746 |
Structure
| InChI Key | DIBFLXZFUXWPNS-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C5H11ClO3 |
| Molecular Weight | 154.04 |
| AlogP | -0.41 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 5.0 |
| Polar Surface Area | 49.69 |
| Heavy Atoms | 9.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 18371-74-9 |
| NORMAN SUSDAT | |
| FDA SRS | X0FP3I203R |
| PubChem | 86713 |
CONTENTS
