COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL427094
Chemical Name: 4-{(E)-[3-(4-chlorophenyl)-5-oxo-1,2-oxazol-4(5H)-ylidene]methyl}phenyl4-nitrobenzoate
Smiles: Clc1ccc(cc1)C1=NOC(=O)/C/1=C/c1ccc(cc1)OC(=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 448.82
Empirical Formula: C23H13ClN2O6

Physical State: Dry powder
Available Amount: 667 mg

Lipinsky:
logP: 5.81
Rotatable bonds: 1
H-donors: 0
H-acceptors: 6
PSA: 110
Number of rings: 4

     

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