Molecule ID: mol18191

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

InChI: InChI=1S/C27H27N3O3/c1-15-5-8-21(13-16(15)2)28-27(33)20-7-9-22-23(14-20)30-26(29-22)25-17(3)11-19(12-18(25)4)6-10-24(31)32/h5,7-9,11-14H,6,10H2,1-4H3,(H,28,33)(H,29,30)(H,31,32)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization