COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL393838
Chemical Name: (2E)-1-(4-chloro-1-methyl-1H-pyrazol-3-yl)-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-en-1-one
Smiles: Cn1cc(c(n1)C(=O)/C=C/c1cc2OCOc2cc1[N+](=O)[O-])Cl

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Molecular Weight: 335.7
Empirical Formula: C14H10ClN3O5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.367
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 99
Number of rings: 3

     

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