COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK765938
Chemical Name: 3-methyl-1,5-dinitro-11-(2-oxopropyl)-2,3,4,5-tetrahydro-1,5-methano-3-benzazocin-6(1H)-one
Smiles: CN1CC2([N+](=O)[O-])c3ccccc3C(=O)C(C1)(C2CC(=O)C)[N+](=O)[O-]

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Molecular Weight: 347.33
Empirical Formula: C16H17N3O6

Physical State: Dry powder
Available Amount: 66 mg

Lipinsky:
logP: 3.686
Rotatable bonds: 2
H-donors: 0
H-acceptors: 6
PSA: 129
Number of rings: 3

     

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