[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate

Formula:C20H16NO5F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate
MolecularFormula	C20H16NO5F3
Smiles	O=C(COC(/C=C/c(cc1)cc2c1OCCO2)=O)Nc1cccc(C(F)(F)F)c1
InChI	InChI=1S/C20H16F3NO5/c21-20(22,23)14-2-1-3-15(11-14)24-18(25)12-29-19(26)7-5-13-4-6-16-17(10-13)28-9-8-27-16/h1-7,10-11H,8-9,12H2,(H,24,25)
InChIK	SSFONGIZEWCYBM-UHFFFAOYSA-N
TotalMolweight	407.343
Molweight	407.343
MonoisotopicMass	407.098058
CLogP	3.5213
CLogS	-4.361
H Acceptors	6
H Donors	1
TotalSurfaceArea	293.72
Relative PSA	0.22995
PolarSurfaceArea	73.86
Druglikeness	-13.976
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	2
Amides	1
StereoCon

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