Molecule ID: mol16788

SMILES: N=c1sc(-c2cccc(Cl)c2)nn1CCCCCCCCCCCCn1nc(-c2cccc(Cl)c2)sc1=N

InChI: InChI=1S/C28H34Cl2N6S2/c29-23-15-11-13-21(19-23)25-33-35(27(31)37-25)17-9-7-5-3-1-2-4-6-8-10-18-36-28(32)38-26(34-36)22-14-12-16-24(30)20-22/h11-16,19-20,31-32H,1-10,17-18H2

Experimental Macro pKa Values

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