bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl) (E)-but-2-enedioate

Formula:C20H2O4F34 Mutagenic:none Tumorigenic:none Reproductive Effective:none bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl) (E)-but-2-enedioate is not a drug-like molecule.

MolName	bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl) (E)-but-2-enedioate
MolecularFormula	C20H2O4F34
Smiles	O=C(/C=C/C(OC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=O)OC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI	InChI=1S/C20H2F34O4/c21-5(22,9(29,30)13(37,38)17(45,46)47)7(25,26)11(33,34)15(41,42)19(51,52)57-3(55)1-2-4(56)58-20(53,54)16(43,44)12(35,36)8(27,28)6(23,24)10(31,32)14(39,40)18(48,49)50/h1-2H
InChIK	OGBKVDKHMNTXID-UHFFFAOYSA-N
TotalMolweight	952.164
Molweight	952.164
MonoisotopicMass	951.941012
CLogP	11.646
CLogS	-12.528
H Acceptors	4
TotalSurfaceArea	477.96
Relative PSA	0.09641
PolarSurfaceArea	52.6
Druglikeness	-109.46
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.41379
Fragments	1
Non HAtoms	58
NonCHAtoms	38
Electronegative Atoms	38
Rotatable Bond	20
Sp3Atoms	18
Symmetricatoms	38
StereoCon

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1 - bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl) (E)-but-2-enedioate | 2 - bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl) (E)-but-2-enedioate

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