(E)-3-[4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enenitrile

Formula:C20H15NO Mutagenic:low Tumorigenic:high Reproductive Effective:none (E)-3-[4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enenitrile
MolecularFormula	C20H15NO
Smiles	N#C/C=C/c(cc1)ccc1OCc1cccc2ccccc12
InChI	InChI=1S/C20H15NO/c21-14-4-5-16-10-12-19(13-11-16)22-15-18-8-3-7-17-6-1-2-9-20(17)18/h1-13H,15H2
InChIK	OMVPESVDBZZDRC-UHFFFAOYSA-N
TotalMolweight	285.345
Molweight	285.345
MonoisotopicMass	285.115364
CLogP	4.5383
CLogS	-5.619
H Acceptors	2
TotalSurfaceArea	239.59
Relative PSA	0.098335
PolarSurfaceArea	33.02
Druglikeness	-5.9478
Mutagenic	low
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68182
Fragments	1
Non HAtoms	22
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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