Molecule ID: mol34077

SMILES: CN(C)CCCNc1c2ccccc2nc2c(N(CCO)CCO)ccc([N+](=O)[O-])c12

InChI: InChI=1S/C22H29N5O4/c1-25(2)11-5-10-23-21-16-6-3-4-7-17(16)24-22-19(26(12-14-28)13-15-29)9-8-18(20(21)22)27(30)31/h3-4,6-9,28-29H,5,10-15H2,1-2H3,(H,23,24)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.53 QSARToolbox 2 » 1
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Charge States and Microspecies Visualization