Molecule ID: mol18657

SMILES: Cc1nc2c3c(c(C(=O)N4CCCC4)cn2c1C)CCC1(CCc2ccccc21)O3

InChI: InChI=1S/C25H27N3O2/c1-16-17(2)28-15-20(24(29)27-13-5-6-14-27)19-10-12-25(30-22(19)23(28)26-16)11-9-18-7-3-4-8-21(18)25/h3-4,7-8,15H,5-6,9-14H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization