| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
Structure
| InChI Key | ACRITBNCBMTINK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H16Cl1N1O2 |
| Molecular Weight | 229.09 |
| AlogP | 2.25 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 44.48 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 123431-31-2 |
| NORMAN SUSDAT | |
| PubChem | 542036 |
| ChemSpider | 472008.0 |
CONTENTS
