COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL331488
Chemical Name: 2-(2,4,6-trinitrophenoxy)cyclohepta-2,4,6-trien-1-one
Smiles: O=c1cccccc1Oc1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 333.21
Empirical Formula: C13H7N3O8

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.981
Rotatable bonds: 1
H-donors: 0
H-acceptors: 8
PSA: 163
Number of rings: 2

     

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