Molecule ID: mol25003

SMILES: CCCC1C(=O)N(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2)C1=O

InChI: InChI=1S/C18H16Cl2N2O2/c1-2-3-16-17(23)21(14-8-4-12(19)5-9-14)22(18(16)24)15-10-6-13(20)7-11-15/h4-11,16H,2-3H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.80 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization