Molecule ID: mol1540

SMILES: OCCN(CCO)Cc1ccccc1

InChI: InChI=1S/C11H17NO2/c13-8-6-12(7-9-14)10-11-4-2-1-3-5-11/h1-5,13-14H,6-10H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.11 IUPAC digitized pKa 1 » 0
7.20 IUPAC digitized pKa 1 » 0
7.30 IUPAC digitized pKa 1 » 0
7.43 IUPAC digitized pKa 1 » 0
7.68 IUPAC digitized pKa 1 » 0
7.68 Hunt 1 » 0
7.78 IUPAC digitized pKa 1 » 0
7.81 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization