COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK050239
Chemical Name: 2,4,6-trinitrophenol-4-methylhepta-1,6-dien-4-amine(1:1)
Smiles: [O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O.C=CCC(CC=C)(N)C

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Molecular Weight: 354.32
Empirical Formula: C14H18N4O7

Physical State: Dry powder
Available Amount: 118 mg

Lipinsky:
logP: 0
Rotatable bonds: 5
H-donors: 3
H-acceptors: 7
PSA: 183
Number of rings: 1

     

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