Molecule ID: mol2829

SMILES: CN1c2ccc(C#N)cc2N=C(c2ccc(C(=O)O)cc2)c2cc3c(cc21)C(C)(C)CCC3(C)C

InChI: InChI=1S/C30H29N3O2/c1-29(2)12-13-30(3,4)23-16-26-21(15-22(23)29)27(19-7-9-20(10-8-19)28(34)35)32-24-14-18(17-31)6-11-25(24)33(26)5/h6-11,14-16H,12-13H2,1-5H3,(H,34,35)

Experimental Macro pKa Values

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