Molecule ID: mol5146

SMILES: CCN(CC)CCCn1c2nc(=O)n(C)c(=O)c-2nc2cc(Cl)c(Cl)cc21

InChI: InChI=1S/C18H21Cl2N5O2/c1-4-24(5-2)7-6-8-25-14-10-12(20)11(19)9-13(14)21-15-16(25)22-18(27)23(3)17(15)26/h9-10H,4-8H2,1-3H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization