Molecule ID: mol36017

SMILES: Cc1ncc(CO)c(/C=N/NC(N)=S)c1O

InChI: InChI=1S/C9H12N4O2S/c1-5-8(15)7(3-12-13-9(10)16)6(4-14)2-11-5/h2-3,14-15H,4H2,1H3,(H3,10,13,16)/b12-3+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization