[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate

Formula:C17H11NO4F6 Mutagenic:high Tumorigenic:none Reproductive Effective:none [2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.

MolName	[2-[3,5-bis(trifluoromethyl)anilino]-2-oxoethyl] (E)-3-(furan-2-yl)prop-2-enoate
MolecularFormula	C17H11NO4F6
Smiles	O=C(COC(/C=C/c1ccco1)=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChI	InChI=1S/C17H11F6NO4/c18-16(19,20)10-6-11(17(21,22)23)8-12(7-10)24-14(25)9-28-15(26)4-3-13-2-1-5-27-13/h1-8H,9H2,(H,24,25)
InChIK	YLZVXIBKDHPBPB-UHFFFAOYSA-N
TotalMolweight	407.265
Molweight	407.265
MonoisotopicMass	407.059227
CLogP	3.5795
CLogS	-4.639
H Acceptors	5
H Donors	1
TotalSurfaceArea	278.85
Relative PSA	0.22109
PolarSurfaceArea	68.54
Druglikeness	-7.0143
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	8
Amides	1
StereoCon

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