Molecule ID: mol18925

SMILES: N=C(N)N1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12

InChI: InChI=1S/C17H21N3O4/c18-17(19)20-12-6-10(7-13(20)15-14(12)24-15)23-16(22)11(8-21)9-4-2-1-3-5-9/h1-5,10-15,21H,6-8H2,(H3,18,19)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization