Molecule ID: mol18926

SMILES: N=C(N)N1C2CCC1CC(OC(=O)C(CO)c1ccccc1)C2

InChI: InChI=1S/C17H23N3O3/c18-17(19)20-12-6-7-13(20)9-14(8-12)23-16(22)15(10-21)11-4-2-1-3-5-11/h1-5,12-15,21H,6-10H2,(H3,18,19)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
11.60 Baltruschat ChEMBL 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization