Molecule ID: mol17646

SMILES: CN(C)CCNC(=O)C1=Nc2cccc3cccc(c23)N1

InChI: InChI=1S/C16H18N4O/c1-20(2)10-9-17-16(21)15-18-12-7-3-5-11-6-4-8-13(19-15)14(11)12/h3-8H,9-10H2,1-2H3,(H,17,21)(H,18,19)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.74 Baltruschat ChEMBL 3 » 2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization