Molecule ID: mol1184

SMILES: O=[N+]([O-])c1cccc(N[C@H]2CCc3ccccc32)c1

InChI: InChI=1S/C15H14N2O2/c18-17(19)13-6-3-5-12(10-13)16-15-9-8-11-4-1-2-7-14(11)15/h1-7,10,15-16H,8-9H2/t15-/m0/s1

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-0.46 Hunt 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization