Molecule ID: mol5141

SMILES: CCN(CC)CCCCn1c2nc(=O)[nH]c(=O)c-2nc2cc(Cl)c(Cl)cc21

InChI: InChI=1S/C18H21Cl2N5O2/c1-3-24(4-2)7-5-6-8-25-14-10-12(20)11(19)9-13(14)21-15-16(25)22-18(27)23-17(15)26/h9-10H,3-8H2,1-2H3,(H,23,26,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization