(E)-1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one

Formula:C13H9O2F Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one
MolecularFormula	C13H9O2F
Smiles	O=C(/C=C/c1ccco1)c(cc1)ccc1F
InChI	InChI=1S/C13H9FO2/c14-11-5-3-10(4-6-11)13(15)8-7-12-2-1-9-16-12/h1-9H
InChIK	BGWADTFLQQUACM-UHFFFAOYSA-N
TotalMolweight	216.21
Molweight	216.21
MonoisotopicMass	216.058658
CLogP	2.5933
CLogS	-3.836
H Acceptors	2
TotalSurfaceArea	173.31
Relative PSA	0.15666
PolarSurfaceArea	30.21
Druglikeness	-1.0581
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6875
Fragments	1
Non HAtoms	16
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Symmetricatoms	2
StereoCon

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