| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | FN6949L56Q |
| EPA CompTox | DTXSID90243929 |
Structure
| InChI Key | LWTJEJCZJFZKEL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H7ClO3 |
| Molecular Weight | 186.01 |
| AlogP | 1.52 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 57.53 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 99-40-1 |
| NORMAN SUSDAT | |
| FDA SRS | FN6949L56Q |
| PubChem | 66834 |
CONTENTS
