Molecule ID: mol16600

SMILES: CN(C)CCNc1c2ccccc2nc2c1[nH]c1ccccc12

InChI: InChI=1S/C19H20N4/c1-23(2)12-11-20-17-13-7-3-5-9-15(13)21-18-14-8-4-6-10-16(14)22-19(17)18/h3-10,22H,11-12H2,1-2H3,(H,20,21)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization