Molecule ID: mol18174

SMILES: Cn1cc(-c2noc(C3=CCCNC3)n2)c2ccccc21

InChI: InChI=1S/C16H16N4O/c1-20-10-13(12-6-2-3-7-14(12)20)15-18-16(21-19-15)11-5-4-8-17-9-11/h2-3,5-7,10,17H,4,8-9H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization