bis(2,2,3,3,4,4,4-heptafluorobutyl) (E)-but-2-enedioate

Formula:C12H6O4F14 Mutagenic:none Tumorigenic:none Reproductive Effective:none bis(2,2,3,3,4,4,4-heptafluorobutyl) (E)-but-2-enedioate is a drug-like molecule.

MolName	bis(2,2,3,3,4,4,4-heptafluorobutyl) (E)-but-2-enedioate
MolecularFormula	C12H6O4F14
Smiles	O=C(/C=C/C(OCC(C(C(F)(F)F)(F)F)(F)F)=O)OCC(C(C(F)(F)F)(F)F)(F)F
InChI	InChI=1S/C12H6F14O4/c13-7(14,9(17,18)11(21,22)23)3-29-5(27)1-2-6(28)30-4-8(15,16)10(19,20)12(24,25)26/h1-2H,3-4H2
InChIK	WVGOKTYQAQEHBO-UHFFFAOYSA-N
TotalMolweight	480.148
Molweight	480.148
MonoisotopicMass	480.004252
CLogP	4.5542
CLogS	-5.454
H Acceptors	4
TotalSurfaceArea	274.38
Relative PSA	0.16794
PolarSurfaceArea	52.6
Druglikeness	-72.763
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.53333
Fragments	1
Non HAtoms	30
NonCHAtoms	18
Electronegative Atoms	18
Rotatable Bond	12
Sp3Atoms	10
Symmetricatoms	19
StereoCon

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