Molecule ID: mol34858

SMILES: COc1ccccc1C(=O)NCCN(CCNC(=O)c1ccccc1OC)CCNC(=O)c1ccccc1OC

InChI: InChI=1S/C30H36N4O6/c1-38-25-13-7-4-10-22(25)28(35)31-16-19-34(20-17-32-29(36)23-11-5-8-14-26(23)39-2)21-18-33-30(37)24-12-6-9-15-27(24)40-3/h4-15H,16-21H2,1-3H3,(H,31,35)(H,32,36)(H,33,37)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.01 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization