Molecule ID: mol1555

SMILES: OCCN(CCO)Cc1cccc(F)c1

InChI: InChI=1S/C11H16FNO2/c12-11-3-1-2-10(8-11)9-13(4-6-14)5-7-15/h1-3,8,14-15H,4-7,9H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization