Molecule ID: mol35655

SMILES: CCN(CC)c1ccc2nc3c(cc(N)c4cc(C(=O)c5ccc6ccccc6c5)ccc43)[o+]c2c1

InChI: InChI=1S/C31H25N3O2/c1-3-34(4-2)23-12-14-27-28(17-23)36-29-18-26(32)25-16-22(11-13-24(25)30(29)33-27)31(35)21-10-9-19-7-5-6-8-20(19)15-21/h5-18H,3-4H2,1-2H3,(H-,32,35)/p+1

Experimental Macro pKa Values

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