Molecule ID: mol32606

SMILES: O=C1NC(Cc2cnc[nH]2)C(=O)NC1Cc1cnc[nH]1

InChI: InChI=1S/C12H14N6O2/c19-11-9(1-7-3-13-5-15-7)17-12(20)10(18-11)2-8-4-14-6-16-8/h3-6,9-10H,1-2H2,(H,13,15)(H,14,16)(H,17,20)(H,18,19)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.05 OCHEM 2 » 1
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Charge States and Microspecies Visualization