Molecule ID: mol34459

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

InChI: InChI=1S/C17H28N4O2S2/c1-12(2)6-8-24-25-16(5-7-22)13(3)21(11-23)10-15-9-19-14(4)20-17(15)18/h9,11-12,22H,5-8,10H2,1-4H3,(H2,18,19,20)/b16-13-

Experimental Macro pKa Values

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