Molecule ID: mol36021

SMILES: Cc1ncc(COP(=O)(O)O)c(C=NCCCCCC(=O)O)c1O

InChI: InChI=1S/C14H21N2O7P/c1-10-14(19)12(8-15-6-4-2-3-5-13(17)18)11(7-16-10)9-23-24(20,21)22/h7-8,19H,2-6,9H2,1H3,(H,17,18)(H2,20,21,22)

Experimental Macro pKa Values

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