(5Z)-5-benzylidene-2-oxo-4-phenylfuran-3-carbonitrile

Formula:C18H11NO2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-benzylidene-2-oxo-4-phenylfuran-3-carbonitrile is a drug-like molecule.

MolName	(5Z)-5-benzylidene-2-oxo-4-phenylfuran-3-carbonitrile
MolecularFormula	C18H11NO2
Smiles	N#CC(C(O/C1=C\c2ccccc2)=O)=C1c1ccccc1
InChI	InChI=1S/C18H11NO2/c19-12-15-17(14-9-5-2-6-10-14)16(21-18(15)20)11-13-7-3-1-4-8-13/h1-11H
InChIK	PEODVUVNVGIRIB-UHFFFAOYSA-N
TotalMolweight	273.29
Molweight	273.29
MonoisotopicMass	273.078979
CLogP	2.6294
CLogS	-3.952
H Acceptors	3
TotalSurfaceArea	216.61
Relative PSA	0.16897
PolarSurfaceArea	50.09
Druglikeness	-4.2955
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB
Shape Index	0.52381
Fragments	1
Non HAtoms	21
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	4
StereoCon

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