Molecule ID: mol8134

SMILES: COc1cc(C(=O)N2CCNc3nc(N)nc(N)c32)cc(OC)c1OC

InChI: InChI=1S/C16H20N6O4/c1-24-9-6-8(7-10(25-2)12(9)26-3)15(23)22-5-4-19-14-11(22)13(17)20-16(18)21-14/h6-7H,4-5H2,1-3H3,(H5,17,18,19,20,21)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization