Molecule ID: mol18638

SMILES: Cc1nn(-c2ccccc2)c(SSc2c(C(=O)c3ccccc3)c(C)nn2-c2ccccc2)c1C(=O)c1ccccc1

InChI: InChI=1S/C34H26N4O2S2/c1-23-29(31(39)25-15-7-3-8-16-25)33(37(35-23)27-19-11-5-12-20-27)41-42-34-30(32(40)26-17-9-4-10-18-26)24(2)36-38(34)28-21-13-6-14-22-28/h3-22H,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.20 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization