Molecule ID: mol17759

SMILES: CN(C)CCNC(=O)c1cccc2[nH]c(-c3ccccc3)nc12

InChI: InChI=1S/C18H20N4O/c1-22(2)12-11-19-18(23)14-9-6-10-15-16(14)21-17(20-15)13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3,(H,19,23)(H,20,21)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.42 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization