Molecule ID: mol14800

SMILES: COc1cccc(C(=O)NC2CC3CCC(C2)N3Cc2ccccc2)c1OC

InChI: InChI=1S/C23H28N2O3/c1-27-21-10-6-9-20(22(21)28-2)23(26)24-17-13-18-11-12-19(14-17)25(18)15-16-7-4-3-5-8-16/h3-10,17-19H,11-15H2,1-2H3,(H,24,26)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.91 OCHEM 1 » 0
8.91 QSARToolbox 1 » 0
8.91 Datawarrior 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization