[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate

Formula:C13H11N2O5F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate is a drug-like molecule.

MolName	[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (E)-3-(3-nitrophenyl)prop-2-enoate
MolecularFormula	C13H11N2O5F3
Smiles	[O-][N+](c1cccc(/C=C/C(OCC(NCC(F)(F)F)=O)=O)c1)=O
InChI	InChI=1S/C13H11F3N2O5/c14-13(15,16)8-17-11(19)7-23-12(20)5-4-9-2-1-3-10(6-9)18(21)22/h1-6H,7-8H2,(H,17,19)
InChIK	BZQNSFNTHNAFHJ-UHFFFAOYSA-N
TotalMolweight	332.233
Molweight	332.233
MonoisotopicMass	332.062007
CLogP	0.9545
CLogS	-3.394
H Acceptors	7
H Donors	1
TotalSurfaceArea	237.37
Relative PSA	0.32843
PolarSurfaceArea	101.22
Druglikeness	-11.616
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.65217
Fragments	1
Non HAtoms	23
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	5
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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