Molecule ID: mol20110

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

InChI: InChI=1S/C20H21ClN2O2/c1-20(2)12-14-11-15(21)8-9-16(14)18(23-20)22-17(19(24)25)10-13-6-4-3-5-7-13/h3-9,11,17H,10,12H2,1-2H3,(H,22,23)(H,24,25)/t17-/m0/s1

Experimental Macro pKa Values

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