Molecule ID: mol15726

SMILES: O=C1NC(=S)NC(=O)C1C1C=CCCC1

InChI: InChI=1S/C10H12N2O2S/c13-8-7(6-4-2-1-3-5-6)9(14)12-10(15)11-8/h2,4,6-7H,1,3,5H2,(H2,11,12,13,14,15)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.35 QSARToolbox 0 » -1
11.31 Datawarrior -1 » -2
11.31 OCHEM -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization