COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK806546
Chemical Name: prop-2-yn-1-ylN-(2,4-dinitrophenyl)-beta-alaninate
Smiles: C#CCOC(=O)CCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 293.24
Empirical Formula: C12H11N3O6

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 2.905
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 129
Number of rings: 1

     

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