Molecule ID: mol7719

SMILES: COc1cc(NCCCC(C)N)c2ncccc2c1

InChI: InChI=1S/C15H21N3O/c1-11(16)5-3-7-17-14-10-13(19-2)9-12-6-4-8-18-15(12)14/h4,6,8-11,17H,3,5,7,16H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.30 IUPAC digitized pKa 2 » 1
10.30 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization