2-[4-bromo-2-[(Z)-[4-oxo-2-sulfanylidene-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid

Formula:C20H12N2O6BrCl3S2 Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-[4-bromo-2-[(Z)-[4-oxo-2-sulfanylidene-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid is not a drug-like molecule.

MolName	2-[4-bromo-2-[(Z)-[4-oxo-2-sulfanylidene-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
MolecularFormula	C20H12N2O6BrCl3S2
Smiles	OC(COc(cc1)c(/C=C(/C(N2NC(COc(cc(c(Cl)c3)Cl)c3Cl)=O)=O)\SC2=S)cc1Br)=O
InChI	InChI=1S/C20H12BrCl3N2O6S2/c21-10-1-2-14(32-8-18(28)29)9(3-10)4-16-19(30)26(20(33)34-16)25-17(27)7-31-15-6-12(23)11(22)5-13(15)24/h1-6H,7-8H2,(H,25,27)(H,28,29)
InChIK	YUSYDFLYILBKCA-UHFFFAOYSA-N
TotalMolweight	626.718
Molweight	626.718
MonoisotopicMass	623.83857
CLogP	2.6493
CLogS	-7.299
H Acceptors	8
H Donors	2
TotalSurfaceArea	388.2
Relative PSA	0.34189
PolarSurfaceArea	162.56
Druglikeness	2.3577
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	polyhalo aromatic ring
Shape Index	0.55882
Fragments	1
Non HAtoms	34
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
AcidicOxygens	1
StereoCon

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1 - 2-[4-bromo-2-[(Z)-[4-oxo-2-sulfanylidene-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid | 2 - 2-[4-bromo-2-[(Z)-[4-oxo-2-sulfanylidene-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid

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