(E)-3-(2,4-dichlorophenyl)-N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]prop-2-enamide

Formula:C18H14N3O3Cl2F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(2,4-dichlorophenyl)-N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-(2,4-dichlorophenyl)-N-[2-[2-nitro-4-(trifluoromethyl)anilino]ethyl]prop-2-enamide
MolecularFormula	C18H14N3O3Cl2F3
Smiles	[O-][N+](c(cc(C(F)(F)F)cc1)c1NCCNC(/C=C/c(ccc(Cl)c1)c1Cl)=O)=O
InChI	InChI=1S/C18H14Cl2F3N3O3/c19-13-4-1-11(14(20)10-13)2-6-17(27)25-8-7-24-15-5-3-12(18(21,22)23)9-16(15)26(28)29/h1-6,9-10,24H,7-8H2,(H,25,27)
InChIK	GECSXJOABCUYCE-UHFFFAOYSA-N
TotalMolweight	448.227
Molweight	448.227
MonoisotopicMass	447.03643
CLogP	3.7083
CLogS	-5.993
H Acceptors	6
H Donors	2
TotalSurfaceArea	311.68
Relative PSA	0.21297
PolarSurfaceArea	86.95
Druglikeness	-11.164
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	1
Amines	1
Aromatic Amines	1
AcidicOxygens	1
StereoCon

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