Molecule ID: mol19623

SMILES: COc1ccccc1N1CCN(CCCN2C(=O)NC3(CCCc4ccccc43)C2=O)CC1

InChI: InChI=1S/C26H32N4O3/c1-33-23-12-5-4-11-22(23)29-18-16-28(17-19-29)14-7-15-30-24(31)26(27-25(30)32)13-6-9-20-8-2-3-10-21(20)26/h2-5,8,10-12H,6-7,9,13-19H2,1H3,(H,27,32)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization