Molecule ID: mol20108

SMILES: CC1(C)Cc2cc(Cl)ccc2C(NC(Cc2ccccc2)c2n[nH]c(=O)[nH]2)=N1

InChI: InChI=1S/C21H22ClN5O/c1-21(2)12-14-11-15(22)8-9-16(14)18(25-21)23-17(19-24-20(28)27-26-19)10-13-6-4-3-5-7-13/h3-9,11,17H,10,12H2,1-2H3,(H,23,25)(H2,24,26,27,28)

Experimental Macro pKa Values

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