(E)-3-(4-chlorophenyl)-1-(7-oxabicyclo[4.1.0]heptan-1-yl)prop-2-en-1-one

Formula:C15H15O2Cl Mutagenic:none Tumorigenic:low Reproductive Effective:none (E)-3-(4-chlorophenyl)-1-(7-oxabicyclo[4.1.0]heptan-1-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-(4-chlorophenyl)-1-(7-oxabicyclo[4.1.0]heptan-1-yl)prop-2-en-1-one
MolecularFormula	C15H15O2Cl
Smiles	O=C(C12OC1CCCC2)/C=C/c(cc1)ccc1Cl
InChI	InChI=1S/C15H15ClO2/c16-12-7-4-11(5-8-12)6-9-13(17)15-10-2-1-3-14(15)18-15/h4-9,14H,1-3,10H2
InChIK	DZUGPBOOSZGKFQ-UHFFFAOYSA-N
TotalMolweight	262.735
Molweight	262.735
MonoisotopicMass	262.076057
CLogP	2.9806
CLogS	-4.14
H Acceptors	2
TotalSurfaceArea	201.53
Relative PSA	0.15229
PolarSurfaceArea	29.6
Druglikeness	-3.5553
Mutagenic	none
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	oxiran/aziridine
Shape Index	0.66667
Fragments	1
Non HAtoms	18
NonCHAtoms	3
Electronegative Atoms	3
StereoCenters	2
Rotatable Bond	3
Rings Closures	3
Small Rings	4
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Symmetricatoms	2
StereoCon	unknown chirality

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