| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | BND5936MRB |
| EPA CompTox | DTXSID90211880 |
Structure
| InChI Key | NDYYWMXJZWHRLZ-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C4H7Cl1O3 |
| Molecular Weight | 138.01 |
| AlogP | 1.01 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 35.53 |
| Heavy Atoms | 8.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 628-12-6 |
| NORMAN SUSDAT | |
| FDA SRS | BND5936MRB |
| PubChem | 69400 |
| ChemSpider | 62608.0 |
CONTENTS
