Molecule ID: mol11802

SMILES: Cc1ncc(CO)c(C=NC(C(=O)O)C(C)OP(=O)(O)O)c1O

InChI: InChI=1S/C12H17N2O8P/c1-6-11(16)9(8(5-15)3-13-6)4-14-10(12(17)18)7(2)22-23(19,20)21/h3-4,7,10,15-16H,5H2,1-2H3,(H,17,18)(H2,19,20,21)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.48 IUPAC digitized pKa -3 » -4
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization