Molecule ID: mol3031

SMILES: OCCn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1

InChI: InChI=1S/C19H16N8O/c28-7-6-26-12-15(9-22-26)17-10-21-18-19(23-17)27(25-24-18)11-13-3-4-16-14(8-13)2-1-5-20-16/h1-5,8-10,12,28H,6-7,11H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.60 Novartis 1 » 0
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Charge States and Microspecies Visualization