Molecule ID: mol37279

SMILES: C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCC(=O)CN)C(=O)O

InChI: InChI=1S/C18H23N5O5/c1-10(17(26)27)22-16(25)15(23-18(28)21-9-12(24)7-19)6-11-8-20-14-5-3-2-4-13(11)14/h2-5,8,10,15,20H,6-7,9,19H2,1H3,(H,22,25)(H,26,27)(H2,21,23,28)/t10-,15-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.42 QSARToolbox 1 » 0
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Charge States and Microspecies Visualization