Molecule ID: mol20042

SMILES: CCCCCOc1ccc(-c2ccc(-c3ccccc3Cl)n2Cc2ccc(OCCCO)c(N)n2)cc1

InChI: InChI=1S/C30H34ClN3O3/c1-2-3-6-19-36-24-13-10-22(11-14-24)27-15-16-28(25-8-4-5-9-26(25)31)34(27)21-23-12-17-29(30(32)33-23)37-20-7-18-35/h4-5,8-17,35H,2-3,6-7,18-21H2,1H3,(H2,32,33)

Experimental Macro pKa Values

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