(3E)-1,1,2,3,4,5,5,5-octachloropenta-1,3-diene

Formula:C5Cl8 Mutagenic:high Tumorigenic:low Reproductive Effective:high (3E)-1,1,2,3,4,5,5,5-octachloropenta-1,3-diene is not a drug-like molecule.

MolName	(3E)-1,1,2,3,4,5,5,5-octachloropenta-1,3-diene
MolecularFormula	C5Cl8
Smiles	ClC(/C(/Cl)=C(/C(Cl)=C(Cl)Cl)\Cl)(Cl)Cl
InChI	InChI=1S/C5Cl8/c6-1(2(7)4(9)10)3(8)5(11,12)13
InChIK	IEQCQHOSIWSRIH-UHFFFAOYSA-N
TotalMolweight	343.679
Molweight	343.679
MonoisotopicMass	339.750816
CLogP	6.1413
CLogS	-5.819
TotalSurfaceArea	193.11
Druglikeness	-4.2928
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions	allyl/benzyl chloride; 1,1-dihalo-alkene; 1,2-dihalo-alkene
Shape Index	0.53846
Fragments	1
Non HAtoms	13
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	2
Sp3Atoms	1
Symmetricatoms	3
StereoCon

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