(3Z)-3-(2-phenylethoxymethylidene)oxolan-2-one

Formula:C13H14O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (3Z)-3-(2-phenylethoxymethylidene)oxolan-2-one is a drug-like molecule.

MolName	(3Z)-3-(2-phenylethoxymethylidene)oxolan-2-one
MolecularFormula	C13H14O3
Smiles	O=C1OCC/C1=C/OCCc1ccccc1
InChI	InChI=1S/C13H14O3/c14-13-12(7-9-16-13)10-15-8-6-11-4-2-1-3-5-11/h1-5,10H,6-9H2
InChIK	IRXSJGAXJUGEME-UHFFFAOYSA-N
TotalMolweight	218.251
Molweight	218.251
MonoisotopicMass	218.094295
CLogP	1.5114
CLogS	-2.377
H Acceptors	3
TotalSurfaceArea	177.26
Relative PSA	0.18639
PolarSurfaceArea	35.53
Druglikeness	-0.099186
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.6875
Fragments	1
Non HAtoms	16
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
Symmetricatoms	2
StereoCon

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