| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | MLT97E8ND2 |
| EPA CompTox | DTXSID90203205 |
Structure
| InChI Key | SOPDQKNXOCUBSR-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H5ClN2O |
| Molecular Weight | 192.01 |
| AlogP | 2.01 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 42.85 |
| Heavy Atoms | 13.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 54745-92-5 |
| NORMAN SUSDAT | |
| FDA SRS | MLT97E8ND2 |
| PubChem | 2734681 |
CONTENTS
