(2-fluorophenyl) (1E)-2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]ethanimidate

Formula:C16H8NO3Cl3F4 Mutagenic:high Tumorigenic:low Reproductive Effective:high (2-fluorophenyl) (1E)-2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]ethanimidate is not a drug-like molecule.

MolName	(2-fluorophenyl) (1E)-2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]ethanimidate
MolecularFormula	C16H8NO3Cl3F4
Smiles	FC(/C(/Oc(cccc1)c1F)=N\C1(C(Cl)(Cl)Cl)Oc(cccc2)c2O1)(F)F
InChI	InChI=1S/C16H8Cl3F4NO3/c17-15(18,19)16(26-11-7-3-4-8-12(11)27-16)24-13(14(21,22)23)25-10-6-2-1-5-9(10)20/h1-8H
InChIK	ZHPYJJQNBDCLKF-UHFFFAOYSA-N
TotalMolweight	444.595
Molweight	444.595
MonoisotopicMass	442.950587
CLogP	6.586
CLogS	-5.856
H Acceptors	4
TotalSurfaceArea	275.38
Relative PSA	0.15074
PolarSurfaceArea	40.05
Druglikeness	-13.423
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.44444
Fragments	1
Non HAtoms	27
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	8
StereoCon

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1 - (2-fluorophenyl) (1E)-2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]ethanimidate | 2 - (2-fluorophenyl) (1E)-2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]ethanimidate

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