COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK680585
Chemical Name: 3-butyl-1,5-dinitro-2,3,4,5-tetrahydro-1,5-methano-3-benzazocin-6(1H)-one
Smiles: CCCCN1CC2(CC(C1)([N+](=O)[O-])c1c(C2=O)cccc1)[N+](=O)[O-]

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Molecular Weight: 333.34
Empirical Formula: C16H19N3O5

Physical State: Dry powder
Available Amount: 1 mg

Lipinsky:
logP: 4.714
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 111
Number of rings: 3

     

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