Molecule ID: mol2828

SMILES: CN1c2ccc(C#N)cc2N=C(c2ccc(C(=O)O)c(F)c2)c2cc3c(cc21)C(C)(C)CCC3(C)C

InChI: InChI=1S/C30H28FN3O2/c1-29(2)10-11-30(3,4)22-15-26-20(14-21(22)29)27(18-7-8-19(28(35)36)23(31)13-18)33-24-12-17(16-32)6-9-25(24)34(26)5/h6-9,12-15H,10-11H2,1-5H3,(H,35,36)

Experimental Macro pKa Values

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