(1R,5R)-2,2,4,4-tetrachloro-1-(oxiran-2-yl)-8-oxabicyclo[3.2.1]oct-6-en-3-one

Formula:C9H6O3Cl4 Mutagenic:high Tumorigenic:high Reproductive Effective:high (1R,5R)-2,2,4,4-tetrachloro-1-(oxiran-2-yl)-8-oxabicyclo[3.2.1]oct-6-en-3-one is a drug-like molecule.

MolName	(1R,5R)-2,2,4,4-tetrachloro-1-(oxiran-2-yl)-8-oxabicyclo[3.2.1]oct-6-en-3-one
MolecularFormula	C9H6O3Cl4
Smiles	O=C(C([C@@H]1O[C@@]2(C3OC3)C=C1)(Cl)Cl)C2(Cl)Cl
InChI	InChI=1S/C9H6Cl4O3/c10-8(11)4-1-2-7(16-4,5-3-15-5)9(12,13)6(8)14/h1-2,4-5H,3H2/t4-,5?,7-/m1/s1
InChIK	IPAFNGHOHURQGY-TWQFUJJMSA-N
TotalMolweight	303.956
Molweight	303.956
MonoisotopicMass	301.907103
CLogP	1.4661
CLogS	-3.241
H Acceptors	3
TotalSurfaceArea	176.57
Relative PSA	0.23045
PolarSurfaceArea	38.83
Druglikeness	-5.834
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	oxiran/aziridine
Shape Index	0.4375
Fragments	1
Non HAtoms	16
NonCHAtoms	7
Electronegative Atoms	7
StereoCenters	3
Rotatable Bond	1
Rings Closures	3
Small Rings	4
Sp3Atoms	8
Symmetricatoms	2
StereoCon	unknown chirality

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1 - (1R,5R)-2,2,4,4-tetrachloro-1-(oxiran-2-yl)-8-oxabicyclo[3.2.1]oct-6-en-3-one | 2 - (1R,5R)-2,2,4,4-tetrachloro-1-(oxiran-2-yl)-8-oxabicyclo[3.2.1]oct-6-en-3-one

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