Molecule ID: mol1386

SMILES: CCN(CC)Cc1ccc2cccnc2c1O

InChI: InChI=1S/C14H18N2O/c1-3-16(4-2)10-12-8-7-11-6-5-9-15-13(11)14(12)17/h5-9,17H,3-4,10H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.90 IUPAC digitized pKa 2 » 1
7.20 IUPAC digitized pKa 1 » 0
11.30 IUPAC digitized pKa 0 » -1
11.30 OCHEM 0 » -1
11.30 Hunt 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization