Structure

InChI Key RFKMCNOHBTXSMU-UHFFFAOYSA-N
Smile COC(F)(F)C(Cl)Cl
InChI
InChI=1S/C3H4Cl2F2O/c1-8-3(6,7)2(4)5/h2H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H4Cl2F2O
Molecular Weight 164.97
AlogP 2.03
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 9.23
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 8.0

Pharmacology

Action Mechanism of Action Reference
POSITIVE MODULATOR GABA-A receptor; anion channel positive modulator PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pain 4 D010146 ClinicalTrials
Neoplasms 3 D009369 ClinicalTrials
Wounds and Injuries 3 D014947 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 76-38-0
ChEBI 6843
ChEMBL CHEMBL1341
DrugBank DB01028
DrugCentral 1754
EPA CompTox DTXSID7025556
FDA SRS 30905R8O7B
Human Metabolome Database HMDB0015162
Guide to Pharmacology 7234
KEGG C07517
PharmGKB PA450434
PubChem 4116
SureChEMBL SCHEMBL121229
ZINC ZINC000000896988