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

Formula:C20H10O4F26 Mutagenic:none Tumorigenic:none Reproductive Effective:none bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) (E)-but-2-enedioate is not a drug-like molecule.

MolName	bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) (E)-but-2-enedioate
MolecularFormula	C20H10O4F26
Smiles	O=C(/C=C/C(OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=O)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI	InChI=1S/C20H10F26O4/c21-9(22,11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)43)3-5-49-7(47)1-2-8(48)50-6-4-10(23,24)12(27,28)14(31,32)16(35,36)18(39,40)20(44,45)46/h1-2H,3-6H2
InChIK	KTDHXHZTHVKJGC-UHFFFAOYSA-N
TotalMolweight	808.243
Molweight	808.243
MonoisotopicMass	808.016388
CLogP	9.717
CLogS	-10.302
H Acceptors	4
TotalSurfaceArea	440.56
Relative PSA	0.10459
PolarSurfaceArea	52.6
Druglikeness	-115.24
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.48
Fragments	1
Non HAtoms	50
NonCHAtoms	30
Electronegative Atoms	30
Rotatable Bond	20
Sp3Atoms	18
Symmetricatoms	32
StereoCon

Click to Load Molecule:

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

Request More Details | bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) (E)-but-2-enedioate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments