Molecule ID: mol20869

SMILES: N#CC[C@H](C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1

InChI: InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
14.94 Baltruschat ChEMBL 0 » -1
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Charge States and Microspecies Visualization