COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL034102
Chemical Name: 2-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}-2-oxoethylthiocyanate
Smiles: N#CSCC(=O)N1CCN(CC1)c1ccc(cc1[N+](=O)[O-])C(F)(F)F

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Molecular Weight: 374.34
Empirical Formula: C14H13F3N4O3S

Physical State: Dry powder
Available Amount: 5989 mg

Lipinsky:
logP: 3.569
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 118
Number of rings: 2

     

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