(2E,4Z)-1,1,1,2,6,6,6-heptafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene

Formula:C8HF13 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E,4Z)-1,1,1,2,6,6,6-heptafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene is not a drug-like molecule.

MolName	(2E,4Z)-1,1,1,2,6,6,6-heptafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene
MolecularFormula	C8HF13
Smiles	FC(/C=C(\C(F)(F)F)/C(/C(F)(F)F)=C(/C(F)(F)F)\F)(F)F
InChI	InChI=1S/C8HF13/c9-4(8(19,20)21)3(7(16,17)18)2(6(13,14)15)1-5(10,11)12/h1H
InChIK	DPXNAJTXBVCZPB-UHFFFAOYSA-N
TotalMolweight	344.07
Molweight	344.07
MonoisotopicMass	343.987064
CLogP	5.9748
CLogS	-5.329
TotalSurfaceArea	185.32
Druglikeness	-18.016
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.38095
Fragments	1
Non HAtoms	21
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	5
Sp3Atoms	4
Symmetricatoms	8
StereoCon

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1 - (2E,4Z)-1,1,1,2,6,6,6-heptafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene | 2 - (2E,4Z)-1,1,1,2,6,6,6-heptafluoro-3,4-bis(trifluoromethyl)hexa-2,4-diene

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