COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK192462
Chemical Name: (2E)-3-(6-chloro-1,3-benzodioxol-5-yl)-2-(4-methylphenyl)prop-2-enenitrile
Smiles: N#C/C(=C/c1cc2OCOc2cc1Cl)/c1ccc(cc1)C

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Molecular Weight: 297.74
Empirical Formula: C17H12ClNO2

Physical State: Dry powder
Available Amount: 80 mg

Lipinsky:
logP: 5.577
Rotatable bonds: 1
H-donors: 0
H-acceptors: 2
PSA: 42
Number of rings: 3

     

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