COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK437012
Chemical Name: methyl(2Z)-3-(4-bromophenyl)-2-cyanobut-2-enoate
Smiles: COC(=O)/C(=C(\c1ccc(cc1)Br)/C)/C#N

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Molecular Weight: 280.12
Empirical Formula: C12H10BrNO2

Physical State: Dry powder
Available Amount: 976 mg

Lipinsky:
logP: 3.271
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 50
Number of rings: 1

     

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