COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL483854
Chemical Name: 2- [(E)- (3- bromo- 5- chloro- 4- hydroxyphenyl)(3- bromo- 5- chloro- 4- oxocyclohexa- 2,5- dien- 1- ylidene)methyl]benzenesulfonate
Smiles: ClC1=C/C(=C(\c2ccccc2S(=O)(=O)[O-])/c2cc(Cl)c(c(c2)Br)O)/C=C(C1=O)Br

Download SD file Download MOL file View 3D-structure Show MSDS

Saltdata: Na+
Molecular Weight: 580.06
Empirical Formula: C19H9Br2Cl2O5S

Available Amount: 0 mg

Lipinsky:
logP: 4.053
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 102
Number of rings: 3

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