Molecule ID: mol18902

SMILES: O=[N+]([O-])c1ncn(CCCNCc2ccc3ccc(Cl)cc3n2)n1

InChI: InChI=1S/C15H15ClN6O2/c16-12-4-2-11-3-5-13(19-14(11)8-12)9-17-6-1-7-21-10-18-15(20-21)22(23)24/h2-5,8,10,17H,1,6-7,9H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
8.76 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization