COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK012974
Chemical Name: 4-butoxy-2,3-dinitrophenyl4-(heptyloxy)benzoate
Smiles: CCCCCCCOc1ccc(cc1)C(=O)Oc1ccc(c(c1[N+](=O)[O-])[N+](=O)[O-])OCCCC

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Molecular Weight: 474.51
Empirical Formula: C24H30N2O8

Physical State: Dry powder
Available Amount: 195 mg

Lipinsky:
logP: 9.024
Rotatable bonds: 12
H-donors: 0
H-acceptors: 8
PSA: 136
Number of rings: 2

     

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