| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID6057663 |
Structure
| InChI Key | HXEVQMXCHCDPSO-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C11H8Cl1N1O2 |
| Molecular Weight | 221.02 |
| AlogP | 3.03 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 43.1 |
| Heavy Atoms | 15.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 16883-16-2 |
| NORMAN SUSDAT | |
| PubChem | 85624 |
| ChemSpider | 77224.0 |
CONTENTS
