Molecule ID: mol20094

SMILES: CCN(CC)CC/N=C(\NO)c1nc(-c2ccccc2)no1

InChI: InChI=1S/C15H21N5O2/c1-3-20(4-2)11-10-16-14(18-21)15-17-13(19-22-15)12-8-6-5-7-9-12/h5-9,21H,3-4,10-11H2,1-2H3,(H,16,18)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.85 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization