(2E,4E)-13-chloro-6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-hexadecafluorotrideca-2,4-dienenitrile

Formula:C13H4NClF16 Mutagenic:high Tumorigenic:high Reproductive Effective:low (2E,4E)-13-chloro-6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-hexadecafluorotrideca-2,4-dienenitrile is not a drug-like molecule.

MolName	(2E,4E)-13-chloro-6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-hexadecafluorotrideca-2,4-dienenitrile
MolecularFormula	C13H4NClF16
Smiles	N#C/C=C/C=C/C(C(C(C(C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI	InChI=1S/C13H4ClF16N/c14-13(29,30)12(27,28)11(25,26)10(23,24)9(21,22)8(19,20)7(17,18)6(15,16)4-2-1-3-5-31/h1-4H
InChIK	KVMLHQMSRDTODS-UHFFFAOYSA-N
TotalMolweight	513.603
Molweight	513.603
MonoisotopicMass	512.977674
CLogP	7.4646
CLogS	-8.181
H Acceptors	1
TotalSurfaceArea	288.51
Relative PSA	0.047
PolarSurfaceArea	23.79
Druglikeness	-69.123
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	low
Nasty Functions
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	18
Electronegative Atoms	18
Rotatable Bond	9
Sp3Atoms	8
Symmetricatoms	8
StereoCon

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1 - (2E,4E)-13-chloro-6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-hexadecafluorotrideca-2,4-dienenitrile | 2 - (2E,4E)-13-chloro-6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-hexadecafluorotrideca-2,4-dienenitrile

Request More Details | (2E,4E)-13-chloro-6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-hexadecafluorotrideca-2,4-dienenitrile

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