COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK870313
Chemical Name: 6-(2-chloroethoxy)-3,3-dimethyl-1,5-dinitro-3-azoniabicyclo[3.3.1]non-6-ene
Smiles: ClCCOC1=CCC2(CC1(C[N+](C2)(C)C)[N+](=O)[O-])[N+](=O)[O-]

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Saltdata: I-
Molecular Weight: 320.75
Empirical Formula: C12H19ClN3O5

Physical State: Dry powder
Available Amount: 2 mg

Lipinsky:
logP: -1.319
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 100
Number of rings: 2

     

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