COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK730429
Chemical Name: ethyl(2Z)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoate
Smiles: [O-][N+](=O)c1cc2OCOc2cc1/C=C(\C(=O)OCC)/C#N

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Molecular Weight: 290.23
Empirical Formula: C13H10N2O6

Physical State: Dry powder
Available Amount: 44 mg

Lipinsky:
logP: 2.44
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 114
Number of rings: 2

     

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