COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK669206
Chemical Name: 1-(2,4,6-trinitrophenyl)azepane
Smiles: [O-][N+](=O)c1cc(cc(c1N1CCCCCC1)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 310.27
Empirical Formula: C12H14N4O6

Physical State: Dry powder
Available Amount: 951 mg

Lipinsky:
logP: 5.668
Rotatable bonds: 0
H-donors: 0
H-acceptors: 6
PSA: 140
Number of rings: 2

     

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