| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | M9K697V59A |
| EPA CompTox | DTXSID60187967 |
Structure
| InChI Key | AOGGRVIJAHZLFK-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C6H7Cl1N2O1 |
| Molecular Weight | 158.02 |
| AlogP | 1.33 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 48.14 |
| Heavy Atoms | 10.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 34392-85-3 |
| NORMAN SUSDAT | |
| FDA SRS | M9K697V59A |
| PubChem | 118674 |
| ChemSpider | 14494730.0 |
CONTENTS
