CKA

7-Chlorokynurenic acid

Created:2015-07-02
Last modified:  2021-03-01

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count21
Chiral Atom Count0
Bond Count22
Aromatic Bond Count6
2D diagram of CKA

WebGL does not seem to be available.

This can be caused by an outdated browser, graphics card driver issue, or bad weather. Sometimes, just restarting the browser helps. Also, make sure hardware acceleration is enabled in your browser.

For a list of supported browsers, refer to http://caniuse.com/#feat=webgl.

Toggle HydrogenToggle Labels

Chemical Component Summary

Name7-Chlorokynurenic acid
Synonyms7-CKA
Systematic Name (OpenEye OEToolkits)7-chloranyl-4-oxidanylidene-1H-quinoline-2-carboxylic acid
FormulaC10 H6 Cl N O3
Molecular Weight223.613
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1cc(cc2c1C(C=C(C(O)=O)N2)=O)Cl
SMILESCACTVS3.385OC(=O)C1=CC(=O)c2ccc(Cl)cc2N1
SMILESOpenEye OEToolkits1.9.2c1cc2c(cc1Cl)NC(=CC2=O)C(=O)O
Canonical SMILESCACTVS3.385 OC(=O)C1=CC(=O)c2ccc(Cl)cc2N1
Canonical SMILESOpenEye OEToolkits1.9.2 c1cc2c(cc1Cl)NC(=CC2=O)C(=O)O
InChIInChI1.03 InChI=1S/C10H6ClNO3/c11-5-1-2-6-7(3-5)12-8(10(14)15)4-9(6)13/h1-4H,(H,12,13)(H,14,15)
InChIKeyInChI1.03 UAWVRVFHMOSAPU-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 1884
ChEMBL CHEMBL311389
ChEBI CHEBI:63965