Molecule ID: mol5144

SMILES: CCN(CC)CCCCCn1c2nc(=O)[nH]c(=O)c-2nc2cc(Cl)c(Cl)cc21

InChI: InChI=1S/C19H23Cl2N5O2/c1-3-25(4-2)8-6-5-7-9-26-15-11-13(21)12(20)10-14(15)22-16-17(26)23-19(28)24-18(16)27/h10-11H,3-9H2,1-2H3,(H,24,27,28)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization