Molecule ID: mol36700

SMILES: COc1cc(C(=O)N(N)CCO)c(/N=C/N)c(OC)c1OC

InChI: InChI=1S/C13H20N4O5/c1-20-9-6-8(13(19)17(15)4-5-18)10(16-7-14)12(22-3)11(9)21-2/h6-7,18H,4-5,15H2,1-3H3,(H2,14,16)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.13 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization