Molecule ID: mol2833

SMILES: CNC(=O)c1ccc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)nc1

InChI: InChI=1S/C21H25N3O2/c1-22-21(25)17-6-8-20(23-14-17)26-19-7-5-15-9-11-24(18-3-2-4-18)12-10-16(15)13-19/h5-8,13-14,18H,2-4,9-12H2,1H3,(H,22,25)

Experimental Macro pKa Values

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