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

Formula:C13H8O3Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoate is a drug-like molecule.

MolName	(E)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enoate
MolecularFormula	C13H8O3Cl
Smiles	[O-]C(/C=C/c1ccc(-c(cc2)ccc2Cl)o1)=O
InChI	InChI=1S/C13H9ClO3/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	FPSINWFYJYHUBV-UHFFFAOYSA-M
TotalMolweight	247.657
Molweight	247.657
MonoisotopicMass	247.016197
CLogP	0.9428
CLogS	-4.195
H Acceptors	3
TotalSurfaceArea	189.91
Relative PSA	0.21816
PolarSurfaceArea	53.27
Druglikeness	1.2617
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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