[(2Z)-2-[(3,4-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] (E)-3-phenylprop-2-enoate

Formula:C24H14O4Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [(2Z)-2-[(3,4-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] (E)-3-phenylprop-2-enoate is not a drug-like molecule.

MolName	[(2Z)-2-[(3,4-dichlorophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] (E)-3-phenylprop-2-enoate
MolecularFormula	C24H14O4Cl2
Smiles	O=C(/C=C/c1ccccc1)Oc(cc1)cc(O/C2=C\c(cc3)cc(Cl)c3Cl)c1C2=O
InChI	InChI=1S/C24H14Cl2O4/c25-19-10-6-16(12-20(19)26)13-22-24(28)18-9-8-17(14-21(18)30-22)29-23(27)11-7-15-4-2-1-3-5-15/h1-14H
InChIK	ZYWLIPCLIKKAIW-UHFFFAOYSA-N
TotalMolweight	437.277
Molweight	437.277
MonoisotopicMass	436.026914
CLogP	6.2903
CLogS	-7.454
H Acceptors	4
TotalSurfaceArea	316.83
Relative PSA	0.14544
PolarSurfaceArea	52.6
Druglikeness	-2.0028
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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