COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL334553
Chemical Name: 1-[(1E)-3,4,4-trichloro-2-nitro-1-(phenylsulfanyl)buta-1,3-dien-1-yl]piperidine
Smiles: ClC(=C(Cl)Cl)/C(=C(/N1CCCCC1)\Sc1ccccc1)/[N+](=O)[O-]

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Molecular Weight: 393.72
Empirical Formula: C15H15Cl3N2O2S

Physical State: Dry powder
Available Amount: 2 mg

Lipinsky:
logP: 4.246
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 74
Number of rings: 2

     

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