Molecule ID: mol17066

SMILES: Cc1cc(COc2ccc(NC(=O)C[C@H]3CCC[C@]34NC(=O)NC4=O)cc2)c2ccccc2n1

InChI: InChI=1S/C26H26N4O4/c1-16-13-17(21-6-2-3-7-22(21)27-16)15-34-20-10-8-19(9-11-20)28-23(31)14-18-5-4-12-26(18)24(32)29-25(33)30-26/h2-3,6-11,13,18H,4-5,12,14-15H2,1H3,(H,28,31)(H2,29,30,32,33)/t18-,26+/m1/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization