COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK199920
Chemical Name: {3-chloro-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}propanedinitrile
Smiles: N#CC(=Cc1ccc(c(c1)Cl)Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)C#N

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Molecular Weight: 393.71
Empirical Formula: C17H7ClF3N3O3

Physical State: Dry powder
Available Amount: 143 mg

Lipinsky:
logP: 4.075
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 102
Number of rings: 2

     

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