Molecule ID: mol18575

SMILES: Oc1ccccc1/C=N/NC(=S)NC1CCCCC1

InChI: InChI=1S/C14H19N3OS/c18-13-9-5-4-6-11(13)10-15-17-14(19)16-12-7-2-1-3-8-12/h4-6,9-10,12,18H,1-3,7-8H2,(H2,16,17,19)/b15-10+

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.80 Baltruschat ChEMBL -1 » -2
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Charge States and Microspecies Visualization