Molecule ID: mol615

SMILES: COc1ccnc(CSc2nc3ccccc3[nH]2)c1

InChI: InChI=1S/C14H13N3OS/c1-18-11-6-7-15-10(8-11)9-19-14-16-12-4-2-3-5-13(12)17-14/h2-8H,9H2,1H3,(H,16,17)

Experimental Macro pKa Values

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