(1E,4E)-1,5-bis(2-chloro-6-fluorophenyl)penta-1,4-dien-3-one

Formula:C17H10OCl2F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (1E,4E)-1,5-bis(2-chloro-6-fluorophenyl)penta-1,4-dien-3-one is not a drug-like molecule.

MolName	(1E,4E)-1,5-bis(2-chloro-6-fluorophenyl)penta-1,4-dien-3-one
MolecularFormula	C17H10OCl2F2
Smiles	O=C(/C=C/c(c(F)ccc1)c1Cl)/C=C/c(c(F)ccc1)c1Cl
InChI	InChI=1S/C17H10Cl2F2O/c18-14-3-1-5-16(20)12(14)9-7-11(22)8-10-13-15(19)4-2-6-17(13)21/h1-10H
InChIK	LBUDJHCIGYIYFW-UHFFFAOYSA-N
TotalMolweight	339.167
Molweight	339.167
MonoisotopicMass	338.007675
CLogP	5.3382
CLogS	-6.086
H Acceptors	1
TotalSurfaceArea	247.31
Relative PSA	0.052727
PolarSurfaceArea	17.07
Druglikeness	-0.5942
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Symmetricatoms	10
StereoCon

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