Molecule ID: mol20454

SMILES: CC(C)C(NC(=O)Cn1c(-c2ccccc2)cc2c(=O)n(CCN3CCOCC3)c(=O)[nH]c2c1=O)C(=O)C(F)(F)F

InChI: InChI=1S/C27H30F3N5O6/c1-16(2)21(23(37)27(28,29)30)31-20(36)15-35-19(17-6-4-3-5-7-17)14-18-22(25(35)39)32-26(40)34(24(18)38)9-8-33-10-12-41-13-11-33/h3-7,14,16,21H,8-13,15H2,1-2H3,(H,31,36)(H,32,40)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization