| Keyword(s): | Human Metabolites |
| Molecule Category | Free-form |
| UNII | 3087NKH40A |
| EPA CompTox | DTXSID9057682 |
Structure
| InChI Key | WCTGYFWVYBPRGF-UHFFFAOYSA-N |
|---|---|
| Smiles | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C20H22Cl1N3 |
| Molecular Weight | 339.15 |
| AlogP | 4.23 |
| Hydrogen Bond Acceptor | 3.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 21.06 |
| Heavy Atoms | 24.0 |
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 21228-13-7 |
| NORMAN SUSDAT | |
| FDA SRS | 3087NKH40A |
CONTENTS
