(2-nitrophenyl) (1Z)-N-[5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-yl]-2,2,2-trifluoroethanimidate

Formula:C16H6N2O5Cl5F3 Mutagenic:high Tumorigenic:low Reproductive Effective:high (2-nitrophenyl) (1Z)-N-[5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-yl]-2,2,2-trifluoroethanimidate is not a drug-like molecule.

MolName	(2-nitrophenyl) (1Z)-N-[5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-yl]-2,2,2-trifluoroethanimidate
MolecularFormula	C16H6N2O5Cl5F3
Smiles	[O-][N+](c(cccc1)c1O/C(/C(F)(F)F)=N\C(C(Cl)(Cl)Cl)(Oc1c2)Oc1cc(Cl)c2Cl)=O
InChI	InChI=1S/C16H6Cl5F3N2O5/c17-7-5-11-12(6-8(7)18)31-16(30-11,15(19,20)21)25-13(14(22,23)24)29-10-4-2-1-3-9(10)26(27)28/h1-6H
InChIK	NPZNBVYKHQRJNB-UHFFFAOYSA-N
TotalMolweight	540.492
Molweight	540.492
MonoisotopicMass	537.867142
CLogP	6.7756
CLogS	-7.474
H Acceptors	7
TotalSurfaceArea	323.54
Relative PSA	0.22232
PolarSurfaceArea	85.87
Druglikeness	-18.441
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.41935
Fragments	1
Non HAtoms	31
NonCHAtoms	15
Electronegative Atoms	15
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	9
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (2-nitrophenyl) (1Z)-N-[5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-yl]-2,2,2-trifluoroethanimidate | 2 - (2-nitrophenyl) (1Z)-N-[5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-yl]-2,2,2-trifluoroethanimidate

Request More Details | (2-nitrophenyl) (1Z)-N-[5,6-dichloro-2-(trichloromethyl)-1,3-benzodioxol-2-yl]-2,2,2-trifluoroethanimidate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments