COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL434910
Chemical Name: 3-(4,7-dimethoxy-1,3-benzodioxol-5-yl)-3-oxopropanenitrile
Smiles: N#CCC(=O)c1cc(OC)c2c(c1OC)OCO2

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Molecular Weight: 249.22
Empirical Formula: C12H11NO5

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.325
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 77
Number of rings: 2

     

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