(E)-1-[4-(difluoromethoxy)phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one

Formula:C18H14O4F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[4-(difluoromethoxy)phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[4-(difluoromethoxy)phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-en-1-one
MolecularFormula	C18H14O4F2
Smiles	O=C(/C=C/c(cc1)cc2c1OCCO2)c(cc1)ccc1OC(F)F
InChI	InChI=1S/C18H14F2O4/c19-18(20)24-14-5-3-13(4-6-14)15(21)7-1-12-2-8-16-17(11-12)23-10-9-22-16/h1-8,11,18H,9-10H2
InChIK	TVUJYMRJKWIABE-UHFFFAOYSA-N
TotalMolweight	332.301
Molweight	332.301
MonoisotopicMass	332.086016
CLogP	3.452
CLogS	-4.644
H Acceptors	4
TotalSurfaceArea	246.49
Relative PSA	0.17461
PolarSurfaceArea	44.76
Druglikeness	-9.6828
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	3
StereoCon

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