(2-nitrophenyl) (1Z)-2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]ethanimidate

Formula:C16H8N2O5Cl3F3 Mutagenic:high Tumorigenic:low Reproductive Effective:high (2-nitrophenyl) (1Z)-2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]ethanimidate is not a drug-like molecule.

MolName	(2-nitrophenyl) (1Z)-2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]ethanimidate
MolecularFormula	C16H8N2O5Cl3F3
Smiles	[O-][N+](c(cccc1)c1O/C(/C(F)(F)F)=N\C1(C(Cl)(Cl)Cl)Oc(cccc2)c2O1)=O
InChI	InChI=1S/C16H8Cl3F3N2O5/c17-15(18,19)16(28-11-7-3-4-8-12(11)29-16)23-13(14(20,21)22)27-10-6-2-1-5-9(10)24(25)26/h1-8H
InChIK	ZWIYBMDJYJEKRE-UHFFFAOYSA-N
TotalMolweight	471.602
Molweight	471.602
MonoisotopicMass	469.945088
CLogP	5.5636
CLogS	-6.002
H Acceptors	7
TotalSurfaceArea	292.7
Relative PSA	0.24575
PolarSurfaceArea	85.87
Druglikeness	-18.441
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.41379
Fragments	1
Non HAtoms	29
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	8
AcidicOxygens	1
StereoCon

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