Molecule ID: mol19429

SMILES: Cc1nc2c3c(c(C(=O)N4CCCC4)cn2c1C)CCC(c1ccccc1)C3

InChI: InChI=1S/C24H27N3O/c1-16-17(2)27-15-22(24(28)26-12-6-7-13-26)20-11-10-19(14-21(20)23(27)25-16)18-8-4-3-5-9-18/h3-5,8-9,15,19H,6-7,10-14H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization