4-[(E)-3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]benzonitrile

Formula:C18H11NO2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(E)-3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]benzonitrile is a drug-like molecule.

MolName	4-[(E)-3-(1-benzofuran-2-yl)-3-oxoprop-1-enyl]benzonitrile
MolecularFormula	C18H11NO2
Smiles	N#Cc1ccc(/C=C/C(c2cc(cccc3)c3o2)=O)cc1
InChI	InChI=1S/C18H11NO2/c19-12-14-7-5-13(6-8-14)9-10-16(20)18-11-15-3-1-2-4-17(15)21-18/h1-11H
InChIK	NFWATMWJBZPRDU-UHFFFAOYSA-N
TotalMolweight	273.29
Molweight	273.29
MonoisotopicMass	273.078979
CLogP	3.645
CLogS	-5.796
H Acceptors	3
TotalSurfaceArea	223.27
Relative PSA	0.18234
PolarSurfaceArea	54
Druglikeness	-3.2657
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Symmetricatoms	2
StereoCon

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