COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK393868
Chemical Name: (2E)-3-(2-chloro-5-nitrophenyl)-2-cyano-N-(propan-2-yl)prop-2-enamide
Smiles: CC(NC(=O)/C(=C/c1cc(ccc1Cl)[N+](=O)[O-])/C#N)C

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Molecular Weight: 293.71
Empirical Formula: C13H12ClN3O3

Physical State: Dry powder
Available Amount: 180 mg

Lipinsky:
logP: 2.315
Rotatable bonds: 3
H-donors: 1
H-acceptors: 3
PSA: 98
Number of rings: 1

     

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