Molecule ID: mol2810

SMILES: CCN1c2ccc(C#N)cc2N=C(c2ccc(C(=O)O)c(F)c2)c2cc3c(cc21)C(C)(C)CCC3(C)C

InChI: InChI=1S/C31H30FN3O2/c1-6-35-26-10-7-18(17-33)13-25(26)34-28(19-8-9-20(29(36)37)24(32)14-19)21-15-22-23(16-27(21)35)31(4,5)12-11-30(22,2)3/h7-10,13-16H,6,11-12H2,1-5H3,(H,36,37)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.00 Novartis 0 » -1
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Charge States and Microspecies Visualization