Molecule ID: mol37047

SMILES: O=C(C[n+]1cccc(C=NO)c1)C[n+]1cccc(C(=O)OC2CCCCC2)c1

InChI: InChI=1S/C21H24N3O4/c25-19(15-23-10-4-6-17(13-23)12-22-27)16-24-11-5-7-18(14-24)21(26)28-20-8-2-1-3-9-20/h4-7,10-14,20H,1-3,8-9,15-16H2/q+1/p+1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.24 QSARToolbox 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization