COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK323268
Chemical Name: (2E)-N-(1,3-benzodioxol-5-ylmethyl)-3-(3-nitrophenyl)prop-2-enamide
Smiles: O=C(/C=C/c1cccc(c1)[N+](=O)[O-])NCc1ccc2c(c1)OCO2

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Molecular Weight: 326.31
Empirical Formula: C17H14N2O5

Physical State: Dry powder
Available Amount: 986 mg

Lipinsky:
logP: 3.112
Rotatable bonds: 4
H-donors: 1
H-acceptors: 5
PSA: 93
Number of rings: 3

     

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