COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK675171
Chemical Name: 2-(2,4,6-trinitrobenzylidene)-1H-indene-1,3(2H)-dione
Smiles: [O-][N+](=O)c1cc(cc(c1/C=C/1\C(=O)c2c(C1=O)cccc2)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 369.25
Empirical Formula: C16H7N3O8

Physical State: Dry powder
Available Amount: 8 mg

Lipinsky:
logP: 2.635
Rotatable bonds: 0
H-donors: 0
H-acceptors: 8
PSA: 171
Number of rings: 3

     

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