COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK052011
Chemical Name: 2,4-dichloro-6-[(Z)-2-cyano-2-(4-nitrophenyl)ethenyl]phenyl4-methylbenzenesulfonate
Smiles: N#C/C(=C\c1cc(Cl)cc(c1OS(=O)(=O)c1ccc(cc1)C)Cl)/c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 489.34
Empirical Formula: C22H14Cl2N2O5S

Available Amount: 0 mg

Lipinsky:
logP: 6.987
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 121
Number of rings: 3

     

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