[(E)-2-chloro-1-phenylethenyl] bis(1,1,2,2,4,4,5,5-octafluoropentan-3-yl) phosphate

Formula:C18H12O4ClF16P Mutagenic:high Tumorigenic:high Reproductive Effective:high [(E)-2-chloro-1-phenylethenyl] bis(1,1,2,2,4,4,5,5-octafluoropentan-3-yl) phosphate is not a drug-like molecule.

MolName	[(E)-2-chloro-1-phenylethenyl] bis(1,1,2,2,4,4,5,5-octafluoropentan-3-yl) phosphate
MolecularFormula	C18H12O4ClF16P
Smiles	O=P(OC(C(C(F)F)(F)F)C(C(F)F)(F)F)(OC(C(C(F)F)(F)F)C(C(F)F)(F)F)O/C(/c1ccccc1)=C/Cl
InChI	InChI=1S/C18H12ClF16O4P/c19-6-8(7-4-2-1-3-5-7)37-40(36,38-9(15(28,29)11(20)21)16(30,31)12(22)23)39-10(17(32,33)13(24)25)18(34,35)14(26)27/h1-6,9-14H
InChIK	ZVIKVBDSHJYEKD-UHFFFAOYSA-N
TotalMolweight	662.684
Molweight	662.684
MonoisotopicMass	661.990622
CLogP	4.8547
CLogS	-8.004
H Acceptors	4
TotalSurfaceArea	385.4
Relative PSA	0.122
PolarSurfaceArea	54.57
Druglikeness	-27.28
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	low
Nasty Functions
Shape Index	0.3
Fragments	1
Non HAtoms	40
NonCHAtoms	22
Electronegative Atoms	22
Rotatable Bond	15
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	14
Symmetricatoms	24
StereoCon

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1 - [(E)-2-chloro-1-phenylethenyl] bis(1,1,2,2,4,4,5,5-octafluoropentan-3-yl) phosphate | 2 - [(E)-2-chloro-1-phenylethenyl] bis(1,1,2,2,4,4,5,5-octafluoropentan-3-yl) phosphate

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