[2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate

Formula:C16H11N2O5F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate is a drug-like molecule.

MolName	[2-[2-nitro-4-(trifluoromethyl)anilino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
MolecularFormula	C16H11N2O5F3S
Smiles	[O-][N+](c(cc(C(F)(F)F)cc1)c1NC(COC(/C=C/c1cccs1)=O)=O)=O
InChI	InChI=1S/C16H11F3N2O5S/c17-16(18,19)10-3-5-12(13(8-10)21(24)25)20-14(22)9-26-15(23)6-4-11-2-1-7-27-11/h1-8H,9H2,(H,20,22)
InChIK	XPWHXPFMTNMZHP-UHFFFAOYSA-N
TotalMolweight	400.332
Molweight	400.332
MonoisotopicMass	400.034077
CLogP	2.4875
CLogS	-4.649
H Acceptors	7
H Donors	1
TotalSurfaceArea	279.31
Relative PSA	0.35201
PolarSurfaceArea	129.46
Druglikeness	-10.226
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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