(E)-3-[5-(2,4-difluorophenyl)furan-2-yl]prop-2-enoic acid

Formula:C13H8O3F2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(2,4-difluorophenyl)furan-2-yl]prop-2-enoic acid is a drug-like molecule.

MolName	(E)-3-[5-(2,4-difluorophenyl)furan-2-yl]prop-2-enoic acid
MolecularFormula	C13H8O3F2
Smiles	OC(/C=C/c1ccc(-c(ccc(F)c2)c2F)o1)=O
InChI	InChI=1S/C13H8F2O3/c14-8-1-4-10(11(15)7-8)12-5-2-9(18-12)3-6-13(16)17/h1-7H,(H,16,17)
InChIK	PUFRUEMJSQVGSX-UHFFFAOYSA-N
TotalMolweight	250.2
Molweight	250.2
MonoisotopicMass	250.044151
CLogP	2.6144
CLogS	-4.087
H Acceptors	3
H Donors	1
TotalSurfaceArea	186.01
Relative PSA	0.21639
PolarSurfaceArea	50.44
Druglikeness	0.46787
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	18
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
AcidicOxygens	1
StereoCon

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