Molecule ID: mol17534

SMILES: COc1ccc(N2CCN(CCCCNC(=O)c3ccc(-n4ccnc4)cc3)CC2)cc1

InChI: InChI=1S/C25H31N5O2/c1-32-24-10-8-22(9-11-24)29-18-16-28(17-19-29)14-3-2-12-27-25(31)21-4-6-23(7-5-21)30-15-13-26-20-30/h4-11,13,15,20H,2-3,12,14,16-19H2,1H3,(H,27,31)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization