(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3,4-trichlorophenyl)prop-2-en-1-one

Formula:C17H11O3Cl3 Mutagenic:low Tumorigenic:low Reproductive Effective:high (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3,4-trichlorophenyl)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2,3,4-trichlorophenyl)prop-2-en-1-one
MolecularFormula	C17H11O3Cl3
Smiles	O=C(/C=C/c(cc1)cc2c1OCCO2)c(c(Cl)c1Cl)ccc1Cl
InChI	InChI=1S/C17H11Cl3O3/c18-12-4-3-11(16(19)17(12)20)13(21)5-1-10-2-6-14-15(9-10)23-8-7-22-14/h1-6,9H,7-8H2
InChIK	APVANJIQULDCOO-UHFFFAOYSA-N
TotalMolweight	369.63
Molweight	369.63
MonoisotopicMass	367.977376
CLogP	5.1006
CLogS	-6.23
H Acceptors	3
TotalSurfaceArea	257.55
Relative PSA	0.12829
PolarSurfaceArea	35.53
Druglikeness	-6.9139
Mutagenic	low
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions	polyhalo aromatic ring
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
StereoCon

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