Molecule ID: mol19077

SMILES: C[C@@H]1CN(CCCOc2ccc3c(c2)-c2[nH]nc(-c4ccc(C#N)nc4)c2C3)C[C@H](C)O1

InChI: InChI=1S/C25H27N5O2/c1-16-14-30(15-17(2)32-16)8-3-9-31-21-7-5-18-10-23-24(28-29-25(23)22(18)11-21)19-4-6-20(12-26)27-13-19/h4-7,11,13,16-17H,3,8-10,14-15H2,1-2H3,(H,28,29)/t16-,17+

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.10 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization