(E)-N-[2-(3-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)prop-2-enamide

Formula:C17H14NOCl3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-N-[2-(3-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-[2-(3-chlorophenyl)ethyl]-3-(3,4-dichlorophenyl)prop-2-enamide
MolecularFormula	C17H14NOCl3
Smiles	O=C(/C=C/c(cc1)cc(Cl)c1Cl)NCCc1cc(Cl)ccc1
InChI	InChI=1S/C17H14Cl3NO/c18-14-3-1-2-12(10-14)8-9-21-17(22)7-5-13-4-6-15(19)16(20)11-13/h1-7,10-11H,8-9H2,(H,21,22)
InChIK	XBNPVGSUUXEYAQ-UHFFFAOYSA-N
TotalMolweight	354.663
Molweight	354.663
MonoisotopicMass	353.014095
CLogP	5.0938
CLogS	-5.634
H Acceptors	2
H Donors	1
TotalSurfaceArea	262.51
Relative PSA	0.09333
PolarSurfaceArea	29.1
Druglikeness	0.3116
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Amides	1
StereoCon

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