Molecule ID: mol36019

SMILES: Cc1ncc(COP(=O)(O)O)c(C(O)C#N)c1O

InChI: InChI=1S/C9H11N2O6P/c1-5-9(13)8(7(12)2-10)6(3-11-5)4-17-18(14,15)16/h3,7,12-13H,4H2,1H3,(H2,14,15,16)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.93 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization