| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
Structure
| InChI Key | NSILZMQANUEUBT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H9ClNO3 |
| Molecular Weight | 201.02 |
| AlogP | 1.65 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 63.37 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 85536-83-0 |
| NORMAN SUSDAT | |
| PubChem | 95360 |
CONTENTS
