COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK387433
Chemical Name: methyl3,5-dinitro-4-(pyrrolidin-1-yl)benzoate
Smiles: COC(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])N1CCCC1

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Molecular Weight: 295.25
Empirical Formula: C12H13N3O6

Physical State: Dry powder
Available Amount: 85 mg

Lipinsky:
logP: 3.977
Rotatable bonds: 1
H-donors: 0
H-acceptors: 6
PSA: 121
Number of rings: 2

     

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