Molecule ID: mol35950

SMILES: O=S1(=O)OC(c2ccc(NCc3ccccc3)cc2)(c2ccc(NCc3ccccc3)cc2)c2ccccc21

InChI: InChI=1S/C33H28N2O3S/c36-39(37)32-14-8-7-13-31(32)33(38-39,27-15-19-29(20-16-27)34-23-25-9-3-1-4-10-25)28-17-21-30(22-18-28)35-24-26-11-5-2-6-12-26/h1-22,34-35H,23-24H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
0.30 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization