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

Formula:C19H19N2OCl3 Mutagenic:high Tumorigenic:low Reproductive Effective:high (E)-3-phenyl-N-[2,2,2-trichloro-1-(2-phenylethylamino)ethyl]prop-2-enamide is a drug-like molecule.

MolName	(E)-3-phenyl-N-[2,2,2-trichloro-1-(2-phenylethylamino)ethyl]prop-2-enamide
MolecularFormula	C19H19N2OCl3
Smiles	O=C(/C=C/c1ccccc1)NC(C(Cl)(Cl)Cl)NCCc1ccccc1
InChI	InChI=1S/C19H19Cl3N2O/c20-19(21,22)18(23-14-13-16-9-5-2-6-10-16)24-17(25)12-11-15-7-3-1-4-8-15/h1-12,18,23H,13-14H2,(H,24,25)/t18-/m0/s1
InChIK	NFHKAOGAFMLRNQ-SFHVURJKSA-N
TotalMolweight	397.732
Molweight	397.732
MonoisotopicMass	396.056294
CLogP	4.3726
CLogS	-4.733
H Acceptors	3
H Donors	2
TotalSurfaceArea	296.88
Relative PSA	0.12113
PolarSurfaceArea	41.13
Druglikeness	0.77245
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions	methanediamine
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	6
Amides	1
BasicNitrogens	1
StereoCon	racemate

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