Molecule ID: mol20495

SMILES: O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2sc(CN3CCC(c4ccccc4)CC3)cc2c1

InChI: InChI=1S/C32H26ClN3OS2/c33-25-8-6-23(7-9-25)30-18-28-31(39-30)32(37)36(20-34-28)26-10-11-29-24(16-26)17-27(38-29)19-35-14-12-22(13-15-35)21-4-2-1-3-5-21/h1-11,16-18,20,22H,12-15,19H2

Experimental Macro pKa Values

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