Molecule ID: mol4756

SMILES: CCOC(=O)C(C(=O)OCC)C1Nc2ncncc2N=C1O

InChI: InChI=1S/C13H16N4O5/c1-3-21-12(19)8(13(20)22-4-2)9-11(18)16-7-5-14-6-15-10(7)17-9/h5-6,8-9H,3-4H2,1-2H3,(H,16,18)(H,14,15,17)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.11 IUPAC digitized pKa 1 » 0
10.19 IUPAC digitized pKa -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization