COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK388900
Chemical Name: bis[2-(4-nitrophenyl)-2-oxoethyl]3-nitrobenzene-1,2-dicarboxylate
Smiles: O=C(c1cccc(c1C(=O)OCC(=O)c1ccc(cc1)[N+](=O)[O-])[N+](=O)[O-])OCC(=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 537.4
Empirical Formula: C24H15N3O12

Physical State: Dry powder
Available Amount: 256 mg

Lipinsky:
logP: 3.456
Rotatable bonds: 8
H-donors: 0
H-acceptors: 12
PSA: 224
Number of rings: 3

     

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