COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK201400
Chemical Name: (2Z)-3-(5-bromo-2-hydroxy-3-methoxyphenyl)-2-(4-nitrophenyl)prop-2-enenitrile
Smiles: N#C/C(=C\c1cc(Br)cc(c1O)OC)/c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 375.18
Empirical Formula: C16H11BrN2O4

Physical State: Dry powder
Available Amount: 141 mg

Lipinsky:
logP: 5.234
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 99
Number of rings: 2

     

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