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

Formula:C16H8NO3Cl4F3 Mutagenic:high Tumorigenic:low Reproductive Effective:high (4-chlorophenyl) (1E)-2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]ethanimidate is not a drug-like molecule.

MolName	(4-chlorophenyl) (1E)-2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]ethanimidate
MolecularFormula	C16H8NO3Cl4F3
Smiles	FC(/C(/Oc(cc1)ccc1Cl)=N\C1(C(Cl)(Cl)Cl)Oc(cccc2)c2O1)(F)F
InChI	InChI=1S/C16H8Cl4F3NO3/c17-9-5-7-10(8-6-9)25-13(14(21,22)23)24-16(15(18,19)20)26-11-3-1-2-4-12(11)27-16/h1-8H
InChIK	VEBRBENNVGQRDF-UHFFFAOYSA-N
TotalMolweight	461.05
Molweight	461.05
MonoisotopicMass	458.921036
CLogP	7.0912
CLogS	-6.278
H Acceptors	4
TotalSurfaceArea	284.45
Relative PSA	0.14593
PolarSurfaceArea	40.05
Druglikeness	-13.423
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.48148
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	10
StereoCon

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