Molecule ID: mol13961

SMILES: COc1c(C)ncc(CO)c1C=O

InChI: InChI=1S/C9H11NO3/c1-6-9(13-2)8(5-12)7(4-11)3-10-6/h3,5,11H,4H2,1-2H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.75 Datawarrior 1 » 0
4.75 OCHEM 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization