| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| EPA CompTox | DTXSID60893612 |
Structure
| InChI Key | HKSZSGAPTPXYTI-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H12Cl1N3 |
| Molecular Weight | 185.07 |
| AlogP | 0.78 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 2.0 |
| Number of Rotational Bond | 4.0 |
| Polar Surface Area | 50.94 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 101990-44-7 |
| NORMAN SUSDAT | |
| PubChem | 10997737 |
| ChemSpider | 9172929.0 |
CONTENTS
