Molecule ID: mol17067

SMILES: Cc1cc(COc2ccc(C3(N4CCN(C)CC4)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1

InChI: InChI=1S/C26H27N5O4/c1-17-15-18(21-5-3-4-6-22(21)27-17)16-35-20-9-7-19(8-10-20)26(31-13-11-30(2)12-14-31)23(32)28-25(34)29-24(26)33/h3-10,15H,11-14,16H2,1-2H3,(H2,28,29,32,33,34)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization