Molecule ID: mol19531

SMILES: Cc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1

InChI: InChI=1S/C17H26N4/c1-12-15(18-14-8-9-14)19-16(13-6-7-13)20-17(12)21-10-4-2-3-5-11-21/h13-14H,2-11H2,1H3,(H,18,19,20)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.13 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization