COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL253532
Chemical Name: 3-oxo-3-[4-(propan-2-yl)phenyl]propanenitrile
Smiles: CC(c1ccc(cc1)C(=O)CC#N)C

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Molecular Weight: 187.24
Empirical Formula: C12H13NO

Physical State: Dry powder
Available Amount: 998 mg

Lipinsky:
logP: 2.309
Rotatable bonds: 1
H-donors: 0
H-acceptors: 1
PSA: 40
Number of rings: 1

     

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