Molecule ID: mol17783

SMILES: O=C(Nc1ccc(C2CCCCC2)cc1)C1=C(O)C(c2ccccc2)NC1=O

InChI: InChI=1S/C23H24N2O3/c26-21-19(23(28)25-20(21)17-9-5-2-6-10-17)22(27)24-18-13-11-16(12-14-18)15-7-3-1-4-8-15/h2,5-6,9-15,20,26H,1,3-4,7-8H2,(H,24,27)(H,25,28)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization