Molecule ID: mol20044

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

InChI: InChI=1S/C30H35ClN4O2/c1-2-3-6-20-37-24-13-10-22(11-14-24)28-16-17-29(25-8-4-5-9-26(25)31)35(28)21-23-12-15-27(30(32)34-23)33-18-7-19-36/h4-5,8-17,33,36H,2-3,6-7,18-21H2,1H3,(H2,32,34)

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