COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL197702
Chemical Name: (2E)-N-(1,3-benzodioxol-5-yl)-3-(4-nitrophenyl)prop-2-enamide
Smiles: O=C(Nc1ccc2c(c1)OCO2)/C=C/c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 312.28
Empirical Formula: C16H12N2O5

Physical State: Dry powder
Available Amount: 32 mg

Lipinsky:
logP: 3.717
Rotatable bonds: 1
H-donors: 1
H-acceptors: 5
PSA: 93
Number of rings: 3

     

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