COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK019955
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-N-(2-chloro-5-nitrophenyl)prop-2-enamide
Smiles: O=C(Nc1cc(ccc1Cl)[N+](=O)[O-])/C=C/c1ccc2c(c1)OCO2

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Molecular Weight: 346.73
Empirical Formula: C16H11ClN2O5

Physical State: Dry powder
Available Amount: 529 mg

Lipinsky:
logP: 4.806
Rotatable bonds: 2
H-donors: 1
H-acceptors: 5
PSA: 93
Number of rings: 3

     

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