(E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide

Formula:C16H10N2O3ClF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2-nitrophenyl)prop-2-enamide
MolecularFormula	C16H10N2O3ClF3
Smiles	[O-][N+](c1c(/C=C/C(Nc(cc(C(F)(F)F)cc2)c2Cl)=O)cccc1)=O
InChI	InChI=1S/C16H10ClF3N2O3/c17-12-7-6-11(16(18,19)20)9-13(12)21-15(23)8-5-10-3-1-2-4-14(10)22(24)25/h1-9H,(H,21,23)
InChIK	IHLOSNNBTHYVLI-UHFFFAOYSA-N
TotalMolweight	370.713
Molweight	370.713
MonoisotopicMass	370.033204
CLogP	3.669
CLogS	-5.472
H Acceptors	5
H Donors	1
TotalSurfaceArea	257.28
Relative PSA	0.21346
PolarSurfaceArea	74.92
Druglikeness	-12.641
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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