COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK201482
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-2-(3-nitrophenyl)prop-2-enenitrile
Smiles: N#C/C(=C/c1ccc2c(c1)OCO2)/c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 294.27
Empirical Formula: C16H10N2O4

Physical State: Dry powder
Available Amount: 46 mg

Lipinsky:
logP: 4.507
Rotatable bonds: 2
H-donors: 0
H-acceptors: 4
PSA: 88
Number of rings: 3

     

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