COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK725128
Chemical Name: 1- (4- tert- butyl- 2,6- dimethyl- 3,5- dinitrophenyl)ethanone
Smiles: [O-][N+](=O)c1c(C)c(C(=O)C)c(c(c1C(C)(C)C)[N+](=O)[O-])C

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Molecular Weight: 294.31
Empirical Formula: C14H18N2O5

Physical State: Dry powder
Available Amount: 1000 mg

Lipinsky:
logP: 3.862
Rotatable bonds: 0
H-donors: 0
H-acceptors: 5
PSA: 108
Number of rings: 1

     

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