(E)-1-[2,4-bis(difluoromethoxy)phenyl]-3-(3-chlorophenyl)prop-2-en-1-one

Formula:C17H11O3ClF4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[2,4-bis(difluoromethoxy)phenyl]-3-(3-chlorophenyl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[2,4-bis(difluoromethoxy)phenyl]-3-(3-chlorophenyl)prop-2-en-1-one
MolecularFormula	C17H11O3ClF4
Smiles	O=C(/C=C/c1cccc(Cl)c1)c(ccc(OC(F)F)c1)c1OC(F)F
InChI	InChI=1S/C17H11ClF4O3/c18-11-3-1-2-10(8-11)4-7-14(23)13-6-5-12(24-16(19)20)9-15(13)25-17(21)22/h1-9,16-17H
InChIK	IHABYVNCNKTGPR-UHFFFAOYSA-N
TotalMolweight	374.716
Molweight	374.716
MonoisotopicMass	374.033284
CLogP	4.2486
CLogS	-5.82
H Acceptors	3
TotalSurfaceArea	263.09
Relative PSA	0.12558
PolarSurfaceArea	35.53
Druglikeness	-2.4911
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
StereoCon

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