3-[(Z)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzonitrile

Formula:C18H13NO Mutagenic:low Tumorigenic:none Reproductive Effective:high 3-[(Z)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzonitrile is a drug-like molecule.

MolName	3-[(Z)-(1-oxo-3,4-dihydronaphthalen-2-ylidene)methyl]benzonitrile
MolecularFormula	C18H13NO
Smiles	N#Cc1cccc(/C=C(/CCc2c3cccc2)\C3=O)c1
InChI	InChI=1S/C18H13NO/c19-12-14-5-3-4-13(10-14)11-16-9-8-15-6-1-2-7-17(15)18(16)20/h1-7,10-11H,8-9H2
InChIK	MQAZAYSOARYUKZ-UHFFFAOYSA-N
TotalMolweight	259.307
Molweight	259.307
MonoisotopicMass	259.099714
CLogP	3.8484
CLogS	-5.056
H Acceptors	2
TotalSurfaceArea	211.21
Relative PSA	0.12594
PolarSurfaceArea	40.86
Druglikeness	-4.3668
Mutagenic	low
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	1
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
StereoCon

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