Molecule ID: mol18578

SMILES: S=C(N/N=C/c1cccc(-c2nnn[nH]2)c1)NC1CCCCC1

InChI: InChI=1S/C15H19N7S/c23-15(17-13-7-2-1-3-8-13)20-16-10-11-5-4-6-12(9-11)14-18-21-22-19-14/h4-6,9-10,13H,1-3,7-8H2,(H2,17,20,23)(H,18,19,21,22)/b16-10+

Experimental Macro pKa Values

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