Molecule ID: mol11647

SMILES: C=CCC1(CCCC)C(=O)NC(=S)NC1=O

InChI: InChI=1S/C11H16N2O2S/c1-3-5-7-11(6-4-2)8(14)12-10(16)13-9(11)15/h4H,2-3,5-7H2,1H3,(H2,12,13,14,15,16)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.27 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization