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

Formula:C14H14O2 Mutagenic:none Tumorigenic:low Reproductive Effective:none (E)-1-(6-oxabicyclo[3.1.0]hexan-1-yl)-3-phenylprop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(6-oxabicyclo[3.1.0]hexan-1-yl)-3-phenylprop-2-en-1-one
MolecularFormula	C14H14O2
Smiles	O=C(C12OC1CCC2)/C=C/c1ccccc1
InChI	InChI=1S/C14H14O2/c15-12(14-10-4-7-13(14)16-14)9-8-11-5-2-1-3-6-11/h1-3,5-6,8-9,13H,4,7,10H2
InChIK	NZXHLNNSFKUNFN-UHFFFAOYSA-N
TotalMolweight	214.263
Molweight	214.263
MonoisotopicMass	214.09938
CLogP	2.0326
CLogS	-3.134
H Acceptors	2
TotalSurfaceArea	172.35
Relative PSA	0.17807
PolarSurfaceArea	29.6
Druglikeness	-1.3045
Mutagenic	none
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	oxiran/aziridine
Shape Index	0.625
Fragments	1
Non HAtoms	16
NonCHAtoms	2
Electronegative Atoms	2
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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