Molecule ID: mol34455

SMILES: Cc1ncc(COP(=O)(O)O)c(C=NC(CC(C)C)C(=O)O)c1O

InChI: InChI=1S/C14H21N2O7P/c1-8(2)4-12(14(18)19)16-6-11-10(7-23-24(20,21)22)5-15-9(3)13(11)17/h5-6,8,12,17H,4,7H2,1-3H3,(H,18,19)(H2,20,21,22)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.68 QSARToolbox -1 » -2
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Charge States and Microspecies Visualization