Molecule ID: mol34199

SMILES: CCC1SC2=NCCN2C1(O)c1ccc(Cl)cc1

InChI: InChI=1S/C13H15ClN2OS/c1-2-11-13(17,9-3-5-10(14)6-4-9)16-8-7-15-12(16)18-11/h3-6,11,17H,2,7-8H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.30 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization