COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL406634
Chemical Name: 3-(trinitromethyl)tricyclo[3.3.1.1~3,7~]decane-1-carboxylicacid
Smiles: [O-][N+](=O)C(C12CC3CC(C1)CC(C2)(C3)C(=O)O)([N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 329.27
Empirical Formula: C12H15N3O8

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 5.707
Rotatable bonds: 2
H-donors: 1
H-acceptors: 8
PSA: 174
Number of rings: 4

     

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