Molecule ID: mol17559

SMILES: COc1cccc2c(N)c3cccc(C(=O)NCCN(C)C)c3nc12

InChI: InChI=1S/C19H22N4O2/c1-23(2)11-10-21-19(24)14-8-4-6-12-16(20)13-7-5-9-15(25-3)18(13)22-17(12)14/h4-9H,10-11H2,1-3H3,(H2,20,22)(H,21,24)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
7.80 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization