Molecule ID: mol8136

SMILES: CCOc1nc(C(=O)O)nc2c1NC(OCC)C(OCC)N2

InChI: InChI=1S/C13H20N4O5/c1-4-20-10-7-8(15-9(17-10)13(18)19)16-12(22-6-3)11(14-7)21-5-2/h11-12,14H,4-6H2,1-3H3,(H,18,19)(H,15,16,17)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization