COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK672738
Chemical Name: 1,3,3,5,7,7-hexanitro-1,5-diazocane
Smiles: [O-][N+](=O)N1CC(CN(CC(C1)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 384.18
Empirical Formula: C6H8N8O12

Physical State: Dry powder
Available Amount: 9 mg

Lipinsky:
logP: 1.151
Rotatable bonds: 0
H-donors: 0
H-acceptors: 12
PSA: 281
Number of rings: 1

     

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