Molecule ID: mol5140

SMILES: CCCCN(CCCC)CCCn1c2nc(=O)[nH]c(=O)c-2nc2cc(Cl)c(Cl)cc21

InChI: InChI=1S/C21H27Cl2N5O2/c1-3-5-8-27(9-6-4-2)10-7-11-28-17-13-15(23)14(22)12-16(17)24-18-19(28)25-21(30)26-20(18)29/h12-13H,3-11H2,1-2H3,(H,26,29,30)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.00 IUPAC digitized pKa 1 » 0
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Charge States and Microspecies Visualization