COMPOUNDS FOR BIOLOGICAL SCREENING
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Vitas-M Lab ID: STK065004
Chemical Name: methyl4-[(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoate
Smiles: COC(=O)c1ccc(cc1)Cn1nc(c(c1C)Br)[N+](=O)[O-]

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Molecular Weight: 354.16
Empirical Formula: C13H12BrN3O4

Physical State: Dry powder
Available Amount: 649 mg

Lipinsky:
logP: 3.04
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 89
Number of rings: 2

     

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