Molecule ID: mol17426

SMILES: CN(C)CCOc1ccc(C(=O)N2C/C(=C\c3ccc(Cl)cc3)C(=O)/C(=C/c3ccc(Cl)cc3)C2)cc1

InChI: InChI=1S/C30H28Cl2N2O3/c1-33(2)15-16-37-28-13-7-23(8-14-28)30(36)34-19-24(17-21-3-9-26(31)10-4-21)29(35)25(20-34)18-22-5-11-27(32)12-6-22/h3-14,17-18H,15-16,19-20H2,1-2H3/b24-17+,25-18+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.73 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization