Molecule ID: mol16446

SMILES: O=C(CCN1CCN(CCO)CC1)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CCN3CCN(CCO)CC3)cc1C2=O

InChI: InChI=1S/C32H42N6O6/c39-19-17-37-13-9-35(10-14-37)7-5-29(41)33-23-1-3-25-27(21-23)32(44)26-4-2-24(22-28(26)31(25)43)34-30(42)6-8-36-11-15-38(16-12-36)18-20-40/h1-4,21-22,39-40H,5-20H2,(H,33,41)(H,34,42)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.50 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization