Molecule ID: mol29848

SMILES: Cc1cc(C)c2c(/N=N/c3ccc(O)c4ccccc34)n[nH]c2n1

InChI: InChI=1S/C18H15N5O/c1-10-9-11(2)19-17-16(10)18(23-21-17)22-20-14-7-8-15(24)13-6-4-3-5-12(13)14/h3-9,24H,1-2H3,(H,19,21,23)/b22-20+

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization