COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK029005
Chemical Name: 2,4,6-trinitrophenol-2,2-di(prop-2-en-1-yl)azacyclotridecane(1:1)
Smiles: [O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O.C=CCC1(CC=C)CCCCCCCCCCCN1

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Molecular Weight: 492.57
Empirical Formula: C24H36N4O7

Physical State: Dry powder
Available Amount: 83 mg

Lipinsky:
logP: 0
Rotatable bonds: 5
H-donors: 2
H-acceptors: 7
PSA: 169
Number of rings: 2

     

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