Molecule ID: mol34076

SMILES: CC(=O)OCCN(CCOC(C)=O)c1ccc([N+](=O)[O-])c2c(NCCCN(C)C)c3ccccc3nc12

InChI: InChI=1S/C26H33N5O6/c1-18(32)36-16-14-30(15-17-37-19(2)33)23-11-10-22(31(34)35)24-25(27-12-7-13-29(3)4)20-8-5-6-9-21(20)28-26(23)24/h5-6,8-11H,7,12-17H2,1-4H3,(H,27,28)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.20 QSARToolbox 2 » 1
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Charge States and Microspecies Visualization