Molecule ID: mol17424

SMILES: CN(C)CCOc1ccc(C(=O)N2C/C(=C\c3ccccc3)C(=O)/C(=C/c3ccccc3)C2)cc1

InChI: InChI=1S/C30H30N2O3/c1-31(2)17-18-35-28-15-13-25(14-16-28)30(34)32-21-26(19-23-9-5-3-6-10-23)29(33)27(22-32)20-24-11-7-4-8-12-24/h3-16,19-20H,17-18,21-22H2,1-2H3/b26-19+,27-20+

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