Molecule ID: mol253

SMILES: CN(C)CCCNC(=O)c1ccccc1

InChI: InChI=1S/C12H18N2O/c1-14(2)10-6-9-13-12(15)11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3,(H,13,15)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.30 OCHEM 1 » 0
9.30 AvLiLuMoVe 1 » 0
9.30 Settimo 1 » 0
9.30 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization