Molecule ID: mol37991

SMILES: COc1cc(/C=C/C2=[N+](c3ccccc3)c3ccccc3C2(C)C)cc(Cl)c1O

InChI: InChI=1S/C25H22ClNO2/c1-25(2)19-11-7-8-12-21(19)27(18-9-5-4-6-10-18)23(25)14-13-17-15-20(26)24(28)22(16-17)29-3/h4-16H,1-3H3/p+1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.22 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization