COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL329216
Chemical Name: 2-methoxy-5-nitrocyclohepta-2,4,6-trien-1-one
Smiles: COc1ccc(ccc1=O)[N+](=O)[O-]

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Molecular Weight: 181.15
Empirical Formula: C8H7NO4

Physical State: Dry powder
Available Amount: 160 mg

Lipinsky:
logP: -0.57
Rotatable bonds: 1
H-donors: 0
H-acceptors: 4
PSA: 72
Number of rings: 1

     

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