Structure

InChI Key KXZOIWWTXOCYKR-UHFFFAOYSA-M
Smiles O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.[K+]
InChI
InChI=1S/C14H11Cl2NO2.K/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19;/h1-7,17H,8H2,(H,18,19);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H10Cl2KNO2
Molecular Weight 334.24
AlogP 4.36
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 49.33
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 19.0

Pharmacology

Mechanism of Action Action Reference
Cyclooxygenase inhibitor INHIBITOR PubMed PubMed PubMed Wikipedia

Target Conservation

Protein: Cyclooxygenase

Description: Prostaglandin G/H synthase 1

Organism : Homo sapiens

P23219 ENSG00000095303
Protein: Cyclooxygenase

Description: Prostaglandin G/H synthase 2

Organism : Homo sapiens

P35354 ENSG00000073756

Cross References

Resources Reference
ChEBI 4508
ChEMBL CHEMBL1200804
FDA SRS L4D5UA6CB4
SureChEMBL SCHEMBL40784