Molecule ID: mol18817

SMILES: O=C(/C=N/O)c1cnc(OCC2CCN(Cc3ccccc3)CC2)nc1

InChI: InChI=1S/C19H22N4O3/c24-18(12-22-25)17-10-20-19(21-11-17)26-14-16-6-8-23(9-7-16)13-15-4-2-1-3-5-15/h1-5,10-12,16,25H,6-9,13-14H2/b22-12+

Experimental Macro pKa Values

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