Molecule ID: mol19880

SMILES: COc1ccc(CCNCC(O)COc2ccc(-c3nc(C(C)=O)c(C)[nH]3)cc2)cc1OC

InChI: InChI=1S/C25H31N3O5/c1-16-24(17(2)29)28-25(27-16)19-6-8-21(9-7-19)33-15-20(30)14-26-12-11-18-5-10-22(31-3)23(13-18)32-4/h5-10,13,20,26,30H,11-12,14-15H2,1-4H3,(H,27,28)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.00 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization