| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | O19K7667GO |
| EPA CompTox | DTXSID0074683 |
Structure
| InChI Key | KWAIHLIXESXTJL-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C8H8Cl1N3O2 |
| Molecular Weight | 213.03 |
| AlogP | 1.12 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 3.0 |
| Number of Rotational Bond | 2.0 |
| Polar Surface Area | 89.83 |
| Heavy Atoms | 14.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 858956-08-8 |
| NORMAN SUSDAT | |
| FDA SRS | O19K7667GO |
| PubChem | 17747875 |
| ChemSpider | 21442054.0 |
CONTENTS
