COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL298166
Chemical Name: 7-nitro-3,4-dihydro-2H-1,5-benzodioxepine
Smiles: [O-][N+](=O)c1ccc2c(c1)OCCCO2

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Molecular Weight: 195.17
Empirical Formula: C9H9NO4

Physical State: Dry powder
Available Amount: 154 mg

Lipinsky:
logP: 2.477
Rotatable bonds: 0
H-donors: 0
H-acceptors: 4
PSA: 64
Number of rings: 2

     

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