COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK090116
Chemical Name: 3-[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]benzoicacid
Smiles: [O-][N+](=O)c1nn(c(c1Cl)C)Cc1cccc(c1)C(=O)O

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Molecular Weight: 295.68
Empirical Formula: C12H10ClN3O4

Physical State: Dry powder
Available Amount: 431 mg

Lipinsky:
logP: 2.554
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 100
Number of rings: 2

     

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