(E)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoate

Formula:C13H8O3F Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoate is a drug-like molecule.

MolName	(E)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enoate
MolecularFormula	C13H8O3F
Smiles	[O-]C(/C=C/c1ccc(-c(cc2)ccc2F)o1)=O
InChI	InChI=1S/C13H9FO3/c14-10-3-1-9(2-4-10)12-7-5-11(17-12)6-8-13(15)16/h1-8H,(H,15,16)/p-1
InChIK	LHPYNYVABBATBM-UHFFFAOYSA-M
TotalMolweight	231.202
Molweight	231.202
MonoisotopicMass	231.045748
CLogP	0.4376
CLogS	-3.773
H Acceptors	3
TotalSurfaceArea	180.84
Relative PSA	0.2291
PolarSurfaceArea	53.27
Druglikeness	-0.16097
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.70588
Fragments	1
Non HAtoms	17
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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