COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK292981
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)prop-2-enenitrile
Smiles: N#C/C(=C/c1ccc2c(c1)OCO2)/c1ccc(cc1)Br

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Molecular Weight: 328.16
Empirical Formula: C16H10BrNO2

Physical State: Dry powder
Available Amount: 125 mg

Lipinsky:
logP: 5.497
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 42
Number of rings: 3

     

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