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

Formula:C13H7O3Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]prop-2-enoate is a drug-like molecule.

MolName	(E)-3-[5-(3,4-dichlorophenyl)furan-2-yl]prop-2-enoate
MolecularFormula	C13H7O3Cl2
Smiles	[O-]C(/C=C/c1ccc(-c(cc2)cc(Cl)c2Cl)o1)=O
InChI	InChI=1S/C13H8Cl2O3/c14-10-4-1-8(7-11(10)15)12-5-2-9(18-12)3-6-13(16)17/h1-7H,(H,16,17)/p-1
InChIK	RMUDYPIRNCPJPG-UHFFFAOYSA-M
TotalMolweight	282.102
Molweight	282.102
MonoisotopicMass	280.977224
CLogP	1.5488
CLogS	-4.931
H Acceptors	3
TotalSurfaceArea	205.33
Relative PSA	0.20177
PolarSurfaceArea	53.27
Druglikeness	1.2617
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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