Molecule ID: mol19079

SMILES: N#Cc1ccc(-c2n[nH]c3c2Cc2ccc(OCCN4CCOCC4)cc2-3)cn1

InChI: InChI=1S/C22H21N5O2/c23-13-17-3-1-16(14-24-17)21-20-11-15-2-4-18(12-19(15)22(20)26-25-21)29-10-7-27-5-8-28-9-6-27/h1-4,12,14H,5-11H2,(H,25,26)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.70 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization