COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK687748
Chemical Name: 3-[6-(2-chloroethoxy)-1,5-dinitro-3-azabicyclo[3.3.1]non-6-en-3-yl]propanoicacid
Smiles: ClCCOC1=CCC2(CC1(CN(C2)CCC(=O)O)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 363.75
Empirical Formula: C13H18ClN3O7

Physical State: Dry powder
Available Amount: 12 mg

Lipinsky:
logP: 2.466
Rotatable bonds: 7
H-donors: 1
H-acceptors: 7
PSA: 141
Number of rings: 2

     

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