COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK071006
Chemical Name: N-{2-[(2,4,6-trinitrophenyl)sulfanyl]ethyl}aniline
Smiles: [O-][N+](=O)c1cc(cc(c1SCCNc1ccccc1)[N+](=O)[O-])[N+](=O)[O-]

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Molecular Weight: 364.34
Empirical Formula: C14H12N4O6S

Physical State: Dry powder
Available Amount: 307 mg

Lipinsky:
logP: 3.683
Rotatable bonds: 3
H-donors: 1
H-acceptors: 6
PSA: 174
Number of rings: 2

     

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