COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL382930
Chemical Name: azepan-1-yl(4-methyl-3,5-dinitrophenyl)methanone
Smiles: O=C(c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])C)N1CCCCCC1

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Molecular Weight: 307.31
Empirical Formula: C14H17N3O5

Physical State: Dry powder
Available Amount: 528 mg

Lipinsky:
logP: 2.223
Rotatable bonds: 0
H-donors: 0
H-acceptors: 5
PSA: 111
Number of rings: 2

     

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