S-(2,3,4,5,6-pentachlorophenyl) (2E)-2,3,4,5,5-pentachloropenta-2,4-dienethioate

Formula:C11OCl10S Mutagenic:high Tumorigenic:high Reproductive Effective:high S-(2,3,4,5,6-pentachlorophenyl) (2E)-2,3,4,5,5-pentachloropenta-2,4-dienethioate is not a drug-like molecule.

MolName	S-(2,3,4,5,6-pentachlorophenyl) (2E)-2,3,4,5,5-pentachloropenta-2,4-dienethioate
MolecularFormula	C11OCl10S
Smiles	O=C(/C(/Cl)=C(/C(Cl)=C(Cl)Cl)\Cl)Sc(c(Cl)c(c(Cl)c1Cl)Cl)c1Cl
InChI	InChI=1S/C11Cl10OS/c12-1-2(13)5(16)9(6(17)3(1)14)23-11(22)8(19)4(15)7(18)10(20)21
InChIK	HTNXSCNLEAMTEF-UHFFFAOYSA-N
TotalMolweight	534.716
Molweight	534.716
MonoisotopicMass	529.655505
CLogP	8.2597
CLogS	-9.16
H Acceptors	1
TotalSurfaceArea	308.54
Relative PSA	0.09895
PolarSurfaceArea	42.37
Druglikeness	-0.55722
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	allyl/benzyl chloride; 1,1-dihalo-alkene; 1,2-dihalo-alkene; 2-halo-enone; 3-halo-enone; polyhalo aromatic ring
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	4
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	1
Symmetricatoms	5
StereoCon

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