Molecule ID: mol3573

SMILES: O=C(Nc1ccccc1)Nc1ccc(CC(CN2CCCCC2)c2ccc(NC(=O)Nc3ccccc3)cc2)cc1

InChI: InChI=1S/C34H37N5O2/c40-33(35-29-10-4-1-5-11-29)37-31-18-14-26(15-19-31)24-28(25-39-22-8-3-9-23-39)27-16-20-32(21-17-27)38-34(41)36-30-12-6-2-7-13-30/h1-2,4-7,10-21,28H,3,8-9,22-25H2,(H2,35,37,40)(H2,36,38,41)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.99 QSARToolbox 1 » 0
7.99 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization