Molecule ID: mol32696

SMILES: COc1cc([N+](=O)[O-])cc(C(=O)NC2CC3CCC(C2)N3Cc2ccccc2)c1OC

InChI: InChI=1S/C23H27N3O5/c1-30-21-13-19(26(28)29)12-20(22(21)31-2)23(27)24-16-10-17-8-9-18(11-16)25(17)14-15-6-4-3-5-7-15/h3-7,12-13,16-18H,8-11,14H2,1-2H3,(H,24,27)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.70 OCHEM 1 » 0
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Charge States and Microspecies Visualization