| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 62M589BM1E |
| EPA CompTox | DTXSID00239439 |
Structure
| InChI Key | ROZQWTXWGPFHST-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C9H8Cl1N1O1 |
| Molecular Weight | 181.03 |
| AlogP | 2.83 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 1.0 |
| Polar Surface Area | 25.02 |
| Heavy Atoms | 12.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 93490-31-4 |
| NORMAN SUSDAT | |
| FDA SRS | 62M589BM1E |
CONTENTS
