COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: BBL027203
Chemical Name: 4-(5-bromo-4-formyl-2-methoxyphenoxy)butanenitrile
Smiles: COc1cc(C=O)c(cc1OCCCC#N)Br

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Molecular Weight: 298.14
Empirical Formula: C12H12BrNO3

Physical State: Dry powder
Available Amount: 2318 mg

Lipinsky:
logP: 2.469
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 59
Number of rings: 1

     

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