(E)-1-(2,4-dichlorophenyl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one

Formula:C16H10NOCl2F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-(2,4-dichlorophenyl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(2,4-dichlorophenyl)-3-[3-(trifluoromethyl)anilino]prop-2-en-1-one
MolecularFormula	C16H10NOCl2F3
Smiles	O=C(/C=C/Nc1cc(C(F)(F)F)ccc1)c(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C16H10Cl2F3NO/c17-11-4-5-13(14(18)9-11)15(23)6-7-22-12-3-1-2-10(8-12)16(19,20)21/h1-9,22H
InChIK	RAIZHLIYZPBMLK-UHFFFAOYSA-N
TotalMolweight	360.161
Molweight	360.161
MonoisotopicMass	359.009152
CLogP	4.5348
CLogS	-6.036
H Acceptors	2
H Donors	1
TotalSurfaceArea	249.03
Relative PSA	0.098382
PolarSurfaceArea	29.1
Druglikeness	-6.532
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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