COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK177421
Chemical Name: 4-chlorobut-2-yn-1-yl4-nitrobenzoate
Smiles: ClCC#CCOC(=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 253.64
Empirical Formula: C11H8ClNO4

Physical State: Dry powder
Available Amount: 1410 mg

Lipinsky:
logP: 3.058
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 72
Number of rings: 1

     

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