(E)-3-(4-chlorophenyl)-1-(6-oxabicyclo[3.1.0]hexan-1-yl)prop-2-en-1-one

Formula:C14H13O2Cl Mutagenic:none Tumorigenic:low Reproductive Effective:none (E)-3-(4-chlorophenyl)-1-(6-oxabicyclo[3.1.0]hexan-1-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(4-chlorophenyl)-1-(6-oxabicyclo[3.1.0]hexan-1-yl)prop-2-en-1-one
MolecularFormula	C14H13O2Cl
Smiles	O=C(C12OC1CCC2)/C=C/c(cc1)ccc1Cl
InChI	InChI=1S/C14H13ClO2/c15-11-6-3-10(4-7-11)5-8-12(16)14-9-1-2-13(14)17-14/h3-8,13H,1-2,9H2
InChIK	HBAJHGLMERDARC-UHFFFAOYSA-N
TotalMolweight	248.708
Molweight	248.708
MonoisotopicMass	248.060407
CLogP	2.6386
CLogS	-3.87
H Acceptors	2
TotalSurfaceArea	187.77
Relative PSA	0.16344
PolarSurfaceArea	29.6
Druglikeness	-1.2253
Mutagenic	none
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	oxiran/aziridine
Shape Index	0.64706
Fragments	1
Non HAtoms	17
NonCHAtoms	3
Electronegative Atoms	3
StereoCenters	2
Rotatable Bond	3
Rings Closures	3
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
Symmetricatoms	2
StereoCon	unknown chirality

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