Molecule ID: mol16730

SMILES: COc1cc(NC(C)CCCNC(=O)Oc2ccc([N+](=O)[O-])cc2)c2ncccc2c1

InChI: InChI=1S/C22H24N4O5/c1-15(25-20-14-19(30-2)13-16-6-4-11-23-21(16)20)5-3-12-24-22(27)31-18-9-7-17(8-10-18)26(28)29/h4,6-11,13-15,25H,3,5,12H2,1-2H3,(H,24,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization