Molecule ID: mol37044

SMILES: O=C(C[n+]1cccc(C=NO)c1)C[n+]1cccc(C(=O)NC2CCCC2)c1

InChI: InChI=1S/C20H22N4O3/c25-19(14-23-9-3-5-16(12-23)11-21-27)15-24-10-4-6-17(13-24)20(26)22-18-7-1-2-8-18/h3-6,9-13,18H,1-2,7-8,14-15H2/p+2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization