Molecule ID: mol38082

SMILES: CCSc1ccc2c(c1)N(CCCN1CCN(C)CC1)c1ccccc1S2

InChI: InChI=1S/C22H29N3S2/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24/h4-5,7-10,17H,3,6,11-16H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.80 QSARToolbox 2 » 1
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Charge States and Microspecies Visualization