(E)-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)-4-oxobut-2-enoic acid

Formula:C12H3O4F17 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)-4-oxobut-2-enoic acid is not a drug-like molecule.

MolName	(E)-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)-4-oxobut-2-enoic acid
MolecularFormula	C12H3O4F17
Smiles	OC(/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)=O
InChI	InChI=1S/C12H3F17O4/c13-5(14,7(17,18)9(21,22)11(25,26)27)6(15,16)8(19,20)10(23,24)12(28,29)33-4(32)2-1-3(30)31/h1-2H,(H,30,31)
InChIK	BUEDFFYOKTZGSS-UHFFFAOYSA-N
TotalMolweight	534.118
Molweight	534.118
MonoisotopicMass	533.975986
CLogP	5.3636
CLogS	-6.387
H Acceptors	4
H Donors	1
TotalSurfaceArea	283.08
Relative PSA	0.17373
PolarSurfaceArea	63.6
Druglikeness	-106.12
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	21
Electronegative Atoms	21
Rotatable Bond	11
Sp3Atoms	10
Symmetricatoms	9
AcidicOxygens	1
StereoCon

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1 - (E)-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)-4-oxobut-2-enoic acid | 2 - (E)-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)-4-oxobut-2-enoic acid

Request More Details | (E)-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctoxy)-4-oxobut-2-enoic acid

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