Molecule ID: mol18189

SMILES: Cc1ccc(NC(=O)c2ccc3nc(-c4c(C)cc(OCC(=O)O)cc4C)[nH]c3c2)cc1C

InChI: InChI=1S/C26H25N3O4/c1-14-5-7-19(9-15(14)2)27-26(32)18-6-8-21-22(12-18)29-25(28-21)24-16(3)10-20(11-17(24)4)33-13-23(30)31/h5-12H,13H2,1-4H3,(H,27,32)(H,28,29)(H,30,31)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization