COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK085980
Chemical Name: 4-butoxy-2,3-dinitrophenyl4-heptylbenzoate
Smiles: CCCCCCCc1ccc(cc1)C(=O)Oc1ccc(c(c1[N+](=O)[O-])[N+](=O)[O-])OCCCC

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Molecular Weight: 458.51
Empirical Formula: C24H30N2O7

Physical State: Dry powder
Available Amount: 354 mg

Lipinsky:
logP: 9.317
Rotatable bonds: 11
H-donors: 0
H-acceptors: 7
PSA: 127
Number of rings: 2

     

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