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

Formula:C20H13N2O6Cl3S2 Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-[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.
MolName2-[2-[(Z)-[4-oxo-2-sulfanylidene-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid
MolecularFormulaC20H13N2O6Cl3S2
SmilesOC(COc1c(/C=C(/C(N2NC(COc(c(Cl)c3)cc(Cl)c3Cl)=O)=O)\SC2=S)cccc1)=O
InChIInChI=1S/C20H13Cl3N2O6S2/c21-11-6-13(23)15(7-12(11)22)30-8-17(26)24-25-19(29)16(33-20(25)32)5-10-3-1-2-4-14(10)31-9-18(27)28/h1-7H,8-9H2,(H,24,26)(H,27,28)
InChIKYWADMZOICJOBAJ-UHFFFAOYSA-N
TotalMolweight547.822
Molweight547.822
MonoisotopicMass545.928059
CLogP1.9241
CLogS-6.465
H Acceptors8
H Donors2
TotalSurfaceArea369.57
Relative PSA0.35912
PolarSurfaceArea162.56
Druglikeness4.1477
Mutagenichigh
Tumorigenichigh
Reproductive Effectivehigh
Irritanthigh
Nasty Functionspolyhalo aromatic ring
Shape Index0.57576
Fragments1
Non HAtoms33
NonCHAtoms13
Electronegative Atoms13
Rotatable Bond8
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms7
AcidicOxygens1
StereoCon

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