Molecule ID: mol31272

SMILES: CC1(C)OC(O)(c2ccc([N+](=O)[O-])cc2)OC1(C)C

InChI: InChI=1S/C13H17NO5/c1-11(2)12(3,4)19-13(15,18-11)9-5-7-10(8-6-9)14(16)17/h5-8,15H,1-4H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization