Molecule ID: mol7244

SMILES: CN1C(=O)N(CCN2CCOCC2)C(=O)C(C)(C2=CCCCC2)C1=O

InChI: InChI=1S/C18H27N3O4/c1-18(14-6-4-3-5-7-14)15(22)19(2)17(24)21(16(18)23)9-8-20-10-12-25-13-11-20/h6H,3-5,7-13H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.75 IUPAC digitized pKa 1 » 0
5.75 Datawarrior 1 » 0
5.75 OCHEM 1 » 0
5.75 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization