COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL434893
Chemical Name: 3-oxo-3-(3,4,5-trimethoxyphenyl)propanenitrile
Smiles: COc1cc(cc(c1OC)OC)C(=O)CC#N

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Molecular Weight: 235.24
Empirical Formula: C12H13NO4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.089
Rotatable bonds: 3
H-donors: 0
H-acceptors: 4
PSA: 68
Number of rings: 1

     

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