Molecule ID: mol2890

SMILES: CN(CCC(=O)N1CCN(c2ccc(F)c(F)c2)CC1)CCC1c2ccccc2Oc2ccccc21

InChI: InChI=1S/C29H31F2N3O2/c1-32(14-12-22-23-6-2-4-8-27(23)36-28-9-5-3-7-24(22)28)15-13-29(35)34-18-16-33(17-19-34)21-10-11-25(30)26(31)20-21/h2-11,20,22H,12-19H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.90 Novartis 1 » 0
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Charge States and Microspecies Visualization