(E)-3-phenyl-N-[2,2,2-trichloro-1-[3-(trifluoromethyl)anilino]ethyl]prop-2-enamide

Formula:C18H14N2OCl3F3 Mutagenic:high Tumorigenic:low Reproductive Effective:high (E)-3-phenyl-N-[2,2,2-trichloro-1-[3-(trifluoromethyl)anilino]ethyl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-phenyl-N-[2,2,2-trichloro-1-[3-(trifluoromethyl)anilino]ethyl]prop-2-enamide
MolecularFormula	C18H14N2OCl3F3
Smiles	O=C(/C=C/c1ccccc1)NC(C(Cl)(Cl)Cl)Nc1cc(C(F)(F)F)ccc1
InChI	InChI=1S/C18H14Cl3F3N2O/c19-17(20,21)16(25-14-8-4-7-13(11-14)18(22,23)24)26-15(27)10-9-12-5-2-1-3-6-12/h1-11,16,25H,(H,26,27)/t16-/m1/s1
InChIK	DAWZTTXIFBLGIR-MRXNPFEDSA-N
TotalMolweight	437.675
Molweight	437.675
MonoisotopicMass	436.012378
CLogP	5.0814
CLogS	-5.583
H Acceptors	3
H Donors	2
TotalSurfaceArea	298.82
Relative PSA	0.12034
PolarSurfaceArea	41.13
Druglikeness	-7.1126
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions	methanediamine
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	6
Amides	1
StereoCon	racemate

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