Molecule ID: mol5145

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

InChI: InChI=1S/C17H19Cl2N5O2/c1-3-23(4-2)6-5-7-24-13-9-11(19)10(18)8-12(13)20-14-15(24)21-17(26)22-16(14)25/h8-9H,3-7H2,1-2H3,(H,22,25,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization