Molecule ID: mol20496

SMILES: O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2sc(CN3CCCCC3)cc2c1

InChI: InChI=1S/C26H22ClN3OS2/c27-19-6-4-17(5-7-19)24-14-22-25(33-24)26(31)30(16-28-22)20-8-9-23-18(12-20)13-21(32-23)15-29-10-2-1-3-11-29/h4-9,12-14,16H,1-3,10-11,15H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.29 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization