COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK388885
Chemical Name: 5-methylbenzene-1,3-diylbis(3,5-dinitrobenzoate)
Smiles: Cc1cc(cc(c1)OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 512.35
Empirical Formula: C21H12N4O12

Physical State: Dry powder
Available Amount: 223 mg

Lipinsky:
logP: 4.941
Rotatable bonds: 4
H-donors: 0
H-acceptors: 12
PSA: 235
Number of rings: 3

     

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