2,2,2-trichloro-1-[(E)-2,3-diiodo-4-(2,2,2-trichloro-1-hydroxyethoxy)but-2-enoxy]ethanol

Formula:C8H8O4Cl6I2 Mutagenic:high Tumorigenic:low Reproductive Effective:high 2,2,2-trichloro-1-[(E)-2,3-diiodo-4-(2,2,2-trichloro-1-hydroxyethoxy)but-2-enoxy]ethanol is not a drug-like molecule.

MolName	2,2,2-trichloro-1-[(E)-2,3-diiodo-4-(2,2,2-trichloro-1-hydroxyethoxy)but-2-enoxy]ethanol
MolecularFormula	C8H8O4Cl6I2
Smiles	OC(C(Cl)(Cl)Cl)OC/C(/I)=C(/COC(C(Cl)(Cl)Cl)O)\I
InChI	InChI=1S/C8H8Cl6I2O4/c9-7(10,11)5(17)19-1-3(15)4(16)2-20-6(18)8(12,13)14/h5-6,17-18H,1-2H2
InChIK	PIDCWIODUOQPHP-UHFFFAOYSA-N
TotalMolweight	634.666
Molweight	634.666
MonoisotopicMass	631.664318
CLogP	4.6124
CLogS	-3.996
H Acceptors	4
H Donors	2
TotalSurfaceArea	287.54
Relative PSA	0.16067
PolarSurfaceArea	58.92
Druglikeness	0.84284
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions	1,2-dihalo-alkene
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	12
Electronegative Atoms	12
StereoCenters	2
Rotatable Bond	8
Sp3Atoms	10
Symmetricatoms	12
StereoCon	unknown chirality

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1 - 2,2,2-trichloro-1-[(E)-2,3-diiodo-4-(2,2,2-trichloro-1-hydroxyethoxy)but-2-enoxy]ethanol | 2 - 2,2,2-trichloro-1-[(E)-2,3-diiodo-4-(2,2,2-trichloro-1-hydroxyethoxy)but-2-enoxy]ethanol

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