Molecule ID: mol35614

SMILES: CCCSS/C(CCO)=C(/C)N(C=O)Cc1cnc(C)nc1N

InChI: InChI=1S/C15H24N4O2S2/c1-4-7-22-23-14(5-6-20)11(2)19(10-21)9-13-8-17-12(3)18-15(13)16/h8,10,20H,4-7,9H2,1-3H3,(H2,16,17,18)/b14-11-

Experimental Macro pKa Values

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