[(2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-yl] (E)-3-phenylprop-2-enoate

Formula:C26H18O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none [(2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-yl] (E)-3-phenylprop-2-enoate is not a drug-like molecule.

MolName	[(2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-yl] (E)-3-phenylprop-2-enoate
MolecularFormula	C26H18O4
Smiles	O=C(/C=C/c1ccccc1)Oc(cc1)cc(O/C2=C\C=C\c3ccccc3)c1C2=O
InChI	InChI=1S/C26H18O4/c27-25(17-14-20-10-5-2-6-11-20)29-21-15-16-22-24(18-21)30-23(26(22)28)13-7-12-19-8-3-1-4-9-19/h1-18H
InChIK	QWBCODFVSNRSGO-UHFFFAOYSA-N
TotalMolweight	394.425
Molweight	394.425
MonoisotopicMass	394.12051
CLogP	5.7349
CLogS	-6.294
H Acceptors	4
TotalSurfaceArea	312.49
Relative PSA	0.14746
PolarSurfaceArea	52.6
Druglikeness	-1.853
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	30
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	4
StereoCon

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1 - [(2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-yl] (E)-3-phenylprop-2-enoate | 2 - [(2Z)-3-oxo-2-[(E)-3-phenylprop-2-enylidene]-1-benzofuran-6-yl] (E)-3-phenylprop-2-enoate

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