Molecule ID: mol35803

SMILES: Cc1cccc(NC(=S)N/N=C/c2c(CO)cnc(C)c2O)c1

InChI: InChI=1S/C16H18N4O2S/c1-10-4-3-5-13(6-10)19-16(23)20-18-8-14-12(9-21)7-17-11(2)15(14)22/h3-8,21-22H,9H2,1-2H3,(H2,19,20,23)/b18-8+

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.84 QSARToolbox -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization