Molecule ID: mol20107

SMILES: CC1(C)Cc2cc(Cl)ccc2C(N[C@@H](Cc2ccccc2)c2nccc(=O)[nH]2)=N1

InChI: InChI=1S/C23H23ClN4O/c1-23(2)14-16-13-17(24)8-9-18(16)21(28-23)26-19(12-15-6-4-3-5-7-15)22-25-11-10-20(29)27-22/h3-11,13,19H,12,14H2,1-2H3,(H,26,28)(H,25,27,29)/t19-/m0/s1

Experimental Macro pKa Values

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