COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL432755
Chemical Name: (4E)-1-(4-chlorophenyl)-4-(2-hydroxy-5-nitrobenzylidene)pyrazolidine-3,5-dione
Smiles: Clc1ccc(cc1)N1NC(=O)/C(=C\c2cc(ccc2O)[N+](=O)[O-])/C1=O

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Molecular Weight: 359.73
Empirical Formula: C16H10ClN3O5

Physical State: Dry powder
Available Amount: 86 mg

Lipinsky:
logP: 4.045
Rotatable bonds: 2
H-donors: 2
H-acceptors: 5
PSA: 115
Number of rings: 3

     

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