Molecule ID: mol17483

SMILES: O=C(NCCNCC(O)COc1ccc(O)cc1)N1CCOCC1

InChI: InChI=1S/C16H25N3O5/c20-13-1-3-15(4-2-13)24-12-14(21)11-17-5-6-18-16(22)19-7-9-23-10-8-19/h1-4,14,17,20-21H,5-12H2,(H,18,22)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization