COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK672180
Chemical Name: N,N-dimethyl-N'-[2-(2,4,6-trinitrophenyl)ethyl]benzene-1,4-diamine
Smiles: [O-][N+](=O)c1cc(cc(c1CCNc1ccc(cc1)N(C)C)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 375.34
Empirical Formula: C16H17N5O6

Physical State: Dry powder
Available Amount: 2 mg

Lipinsky:
logP: 2.833
Rotatable bonds: 2
H-donors: 1
H-acceptors: 6
PSA: 152
Number of rings: 2

     

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