COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK061587
Chemical Name: ethyl(2Z)-2-cyano-3-(2-nitrophenyl)prop-2-enoate
Smiles: CCOC(=O)/C(=C\c1ccccc1[N+](=O)[O-])/C#N

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Molecular Weight: 246.22
Empirical Formula: C12H10N2O4

Physical State: Dry powder
Available Amount: 671 mg

Lipinsky:
logP: 1.91
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 95
Number of rings: 1

     

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