Molecule ID: mol19868

SMILES: COc1ccc(CCNC[C@H](O)COc2ccc(Cc3nc(C(C)=O)c[nH]3)cc2)cc1OC

InChI: InChI=1S/C25H31N3O5/c1-17(29)22-15-27-25(28-22)13-18-4-7-21(8-5-18)33-16-20(30)14-26-11-10-19-6-9-23(31-2)24(12-19)32-3/h4-9,12,15,20,26,30H,10-11,13-14,16H2,1-3H3,(H,27,28)/t20-/m0/s1

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization