Molecule ID: mol5138

SMILES: CCN(CC)CCCn1c2nc(=O)[nH]c(=O)c-2nc2cc(Cl)ccc21

InChI: InChI=1S/C17H20ClN5O2/c1-3-22(4-2)8-5-9-23-13-7-6-11(18)10-12(13)19-14-15(23)20-17(25)21-16(14)24/h6-7,10H,3-5,8-9H2,1-2H3,(H,21,24,25)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization