Molecule ID: mol7248

SMILES: NC1=NCC(N)(NCc2ccccc2)C(O)=N1

InChI: InChI=1S/C11H15N5O/c12-10-14-7-11(13,9(17)16-10)15-6-8-4-2-1-3-5-8/h1-5,15H,6-7,13H2,(H3,12,14,16,17)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.21 IUPAC digitized pKa 3 » 2
5.14 IUPAC digitized pKa 2 » 1
10.89 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization