Molecule ID: mol36022

SMILES: Cc1ncc(COP(=O)(O)O)c(/C=N/NC(=O)c2ccncc2)c1O

InChI: InChI=1S/C14H15N4O6P/c1-9-13(19)12(11(6-16-9)8-24-25(21,22)23)7-17-18-14(20)10-2-4-15-5-3-10/h2-7,19H,8H2,1H3,(H,18,20)(H2,21,22,23)/b17-7+

Experimental Macro pKa Values

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