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

Formula:C20H11NO3Cl3F3 Mutagenic:high Tumorigenic:low Reproductive Effective:high naphthalen-2-yl (1E)-2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]ethanimidate is not a drug-like molecule.

MolName	naphthalen-2-yl (1E)-2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]ethanimidate
MolecularFormula	C20H11NO3Cl3F3
Smiles	FC(/C(/Oc1cc2ccccc2cc1)=N\C1(C(Cl)(Cl)Cl)Oc(cccc2)c2O1)(F)F
InChI	InChI=1S/C20H11Cl3F3NO3/c21-19(22,23)20(29-15-7-3-4-8-16(15)30-20)27-17(18(24,25)26)28-14-10-9-12-5-1-2-6-13(12)11-14/h1-11H
InChIK	UCQLFGXIEGHTGM-UHFFFAOYSA-N
TotalMolweight	476.664
Molweight	476.664
MonoisotopicMass	474.975659
CLogP	7.6796
CLogS	-7.148
H Acceptors	4
TotalSurfaceArea	303.63
Relative PSA	0.13671
PolarSurfaceArea	40.05
Druglikeness	-13.423
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.46667
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	6
Symmetricatoms	8
StereoCon

Click to Load Molecule:

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

Request More Details | naphthalen-2-yl (1E)-2,2,2-trifluoro-N-[2-(trichloromethyl)-1,3-benzodioxol-2-yl]ethanimidate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments