Structure

InChI Key KXZOIWWTXOCYKR-UHFFFAOYSA-M
Smile 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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteoarthritis 4 D010003 ClinicalTrials
Toothache 3 D014098 ClinicalTrials
Stomach Ulcer 3 D013276 ClinicalTrials
Pulpitis 2 D011671 ClinicalTrials
Dysmenorrhea 2 D004412 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 4508
ChEMBL CHEMBL1200804
EPA CompTox DTXSID30165212
FDA SRS L4D5UA6CB4
SureChEMBL SCHEMBL40784