Molecule ID: mol319

SMILES: CO[C@@H]1C[C@@H]2[C@@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@@H]3[C@H](c3ccc(C(=N)N)cc3)N2C1

InChI: InChI=1S/C24H25FN4O3/c1-32-17-10-18-19-20(21(28(18)12-17)14-4-6-15(7-5-14)22(26)27)24(31)29(23(19)30)11-13-2-8-16(25)9-3-13/h2-9,17-21H,10-12H2,1H3,(H3,26,27)/t17-,18-,19+,20+,21+/m1/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.60 OCHEM 2 » 1
3.60 Settimo 2 » 1
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Charge States and Microspecies Visualization