2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]acetonitrile

Formula:C17H13NO2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]acetonitrile is a drug-like molecule.

MolName	2-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenoxy]acetonitrile
MolecularFormula	C17H13NO2
Smiles	N#CCOc1ccc(/C=C/C(c2ccccc2)=O)cc1
InChI	InChI=1S/C17H13NO2/c18-12-13-20-16-9-6-14(7-10-16)8-11-17(19)15-4-2-1-3-5-15/h1-11H,13H2
InChIK	QDZAWQPZJXTHIX-UHFFFAOYSA-N
TotalMolweight	263.295
Molweight	263.295
MonoisotopicMass	263.094629
CLogP	2.8857
CLogS	-4.306
H Acceptors	3
TotalSurfaceArea	222.74
Relative PSA	0.16432
PolarSurfaceArea	50.09
Druglikeness	-4.2337
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	high
Nasty Functions
Shape Index	0.75
Fragments	1
Non HAtoms	20
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
StereoCon

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