Molecule ID: mol19111

SMILES: COc1cc(NCc2ccccc2)nc(N)n1

InChI: InChI=1S/C12H14N4O/c1-17-11-7-10(15-12(13)16-11)14-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H3,13,14,15,16)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization