COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK139704
Chemical Name: 3-[(5E)-5-(2-chloro-5-nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoicacid
Smiles: OC(=O)CCN1C(=S)S/C(=C/c2cc(ccc2Cl)[N+](=O)[O-])/C1=O

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Molecular Weight: 372.81
Empirical Formula: C13H9ClN2O5S2

Physical State: Dry powder
Available Amount: 89 mg

Lipinsky:
logP: 2.009
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 160
Number of rings: 2

     

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