Molecule ID: mol287

SMILES: N#Cc1ccc([C@H]2[C@H]3C(O)N(Cc4ccc(F)cc4)C(=O)[C@H]3[C@@H]3C[C@H](F)CN32)cc1

InChI: InChI=1S/C23H21F2N3O2/c24-16-7-3-14(4-8-16)11-28-22(29)19-18-9-17(25)12-27(18)21(20(19)23(28)30)15-5-1-13(10-26)2-6-15/h1-8,17-21,23,30H,9,11-12H2/t17-,18-,19-,20-,21-,23?/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.10 OCHEM 2 » 1
3.10 Settimo 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization