Molecule ID: mol17991

SMILES: CN(C)CCNC(=O)c1cccc2nc3ccccc3nc12

InChI: InChI=1S/C17H18N4O/c1-21(2)11-10-18-17(22)12-6-5-9-15-16(12)20-14-8-4-3-7-13(14)19-15/h3-9H,10-11H2,1-2H3,(H,18,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization