COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148280
Chemical Name: 4-[(3,5-dimethyl-1H-pyrazol-2-ium-1-yl)methyl]benzoate
Smiles: [O-]C(=O)c1ccc(cc1)Cn1[nH+]c(cc1C)C

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Molecular Weight: 230.27
Empirical Formula: C13H14N2O2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.376
Rotatable bonds: 1
H-donors: 1
H-acceptors: 2
PSA: 59
Number of rings: 2

     

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