COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK342405
Chemical Name: 1-(azepan-1-yl)-3-[4-(3,5-dinitrophenoxy)phenyl]propan-1-one
Smiles: O=C(N1CCCCCC1)CCc1ccc(cc1)Oc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 413.43
Empirical Formula: C21H23N3O6

Available Amount: 0 mg

Lipinsky:
logP: 5.725
Rotatable bonds: 2
H-donors: 0
H-acceptors: 6
PSA: 121
Number of rings: 3

     

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