(3Z)-3-(3,3,3-trifluoro-2-oxopropylidene)-2-benzofuran-1-one

Formula:C11H5O3F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (3Z)-3-(3,3,3-trifluoro-2-oxopropylidene)-2-benzofuran-1-one is a drug-like molecule.

MolName	(3Z)-3-(3,3,3-trifluoro-2-oxopropylidene)-2-benzofuran-1-one
MolecularFormula	C11H5O3F3
Smiles	O=C(C(F)(F)F)/C=C(/c1c2cccc1)\OC2=O
InChI	InChI=1S/C11H5F3O3/c12-11(13,14)9(15)5-8-6-3-1-2-4-7(6)10(16)17-8/h1-5H
InChIK	YPPHWYWACBIARZ-UHFFFAOYSA-N
TotalMolweight	242.152
Molweight	242.152
MonoisotopicMass	242.019079
CLogP	2.0798
CLogS	-3.213
H Acceptors	3
TotalSurfaceArea	159.43
Relative PSA	0.22631
PolarSurfaceArea	43.37
Druglikeness	-33.17
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52941
Fragments	1
Non HAtoms	17
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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