Molecule ID: mol5147

SMILES: O=c1nc2n(CCCN3CCCCC3)c3cc(Cl)c(Cl)cc3nc-2c(=O)[nH]1

InChI: InChI=1S/C18H19Cl2N5O2/c19-11-9-13-14(10-12(11)20)25(8-4-7-24-5-2-1-3-6-24)16-15(21-13)17(26)23-18(27)22-16/h9-10H,1-8H2,(H,23,26,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization