Molecule ID: mol19141

SMILES: [11CH3]NC(=O)C(CCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1

InChI: InChI=1S/C28H31ClN2O2/c1-30-26(32)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-31-19-16-27(33,17-20-31)22-12-14-25(29)15-13-22/h2-15,33H,16-21H2,1H3,(H,30,32)/i1-1

Experimental Macro pKa Values

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