| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID80185900 |
Structure
| InChI Key | QTKZRFLGAGOIBT-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H7Cl1N2 |
| Molecular Weight | 166.03 |
| AlogP | 1.91 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 35.82 |
| Heavy Atoms | 11.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 32111-91-4 |
| NORMAN SUSDAT | |
| PubChem | 3015610 |
| ChemSpider | 2283720.0 |
CONTENTS
