| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1972) |
| Entry Type: | Small molecule |
| Molecule Category: | UNKNOWN |
| ATC: | N01AB04 |
| UNII: | 91I69L5AY5 |
Structure
| InChI Key | JPGQOUSTVILISH-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C3H2ClF5O |
| Molecular Weight | 184.49 |
| AlogP | 2.35 |
| Hydrogen Bond Acceptor | 1.0 |
| Hydrogen Bond Donor | 0.0 |
| Number of Rotational Bond | 3.0 |
| Polar Surface Area | 9.23 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 0.0 |
| Heavy Atoms | 10.0 |
Pharmacology
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 13838-16-9 |
| ChEBI | 4792 |
| ChEMBL | CHEMBL1257 |
| DrugBank | DB00228 |
| DrugCentral | 1009 |
| EPA CompTox | DTXSID1020562 |
| FDA SRS | 91I69L5AY5 |
| Human Metabolome Database | HMDB0014373 |
| Guide to Pharmacology | 7175 |
| KEGG | C07516 |
| PharmGKB | PA449461 |
| PubChem | 3226 |
| SureChEMBL | SCHEMBL61712 |
CONTENTS