COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK847295
Chemical Name: (3Z)-3-[2-(4-nitrophenyl)-2-oxoethylidene]piperazin-2-one
Smiles: O=C(c1ccc(cc1)[N+](=O)[O-])/C=C/1\NCCNC1=O

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Molecular Weight: 261.24
Empirical Formula: C12H11N3O4

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: -0.337
Rotatable bonds: 1
H-donors: 2
H-acceptors: 4
PSA: 104
Number of rings: 2

     

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