| Synonyms: | |
| Status: | Approved |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| UNII: | JLN0273S4Z |
Structure
| InChI Key | RJPZIQRLRMWPRF-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C18H22ClN3O |
| Molecular Weight | 331.85 |
| AlogP | 2.98 |
| Hydrogen Bond Acceptor | 3.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 26.79 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 2.0 |
| Heavy Atoms | 22.0 |
Related Entries
Scaffolds
Cross References
| Resources | Reference |
|---|---|
| ChEBI | 31476 |
| ChEMBL | CHEMBL2104287 |
| EPA CompTox | DTXSID5048421 |
| FDA SRS | JLN0273S4Z |
| PubChem | 443945 |
| SureChEMBL | SCHEMBL668219 |
CONTENTS