COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK840435
Chemical Name: prop-2-yn-1-yl(2E)-3-(3-nitrophenyl)prop-2-enoate
Smiles: C#CCOC(=O)/C=C/c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 231.21
Empirical Formula: C12H9NO4

Physical State: Dry powder
Available Amount: 256 mg

Lipinsky:
logP: 2.459
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 72
Number of rings: 1

     

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