(2E)-2-(pyridin-2-ylmethylidene)-3,4-dihydronaphthalen-1-one

Formula:C16H13NO Mutagenic:none Tumorigenic:none Reproductive Effective:high (2E)-2-(pyridin-2-ylmethylidene)-3,4-dihydronaphthalen-1-one is a drug-like molecule.

MolName	(2E)-2-(pyridin-2-ylmethylidene)-3,4-dihydronaphthalen-1-one
MolecularFormula	C16H13NO
Smiles	O=C(/C(/CC1)=C/c2ncccc2)c2c1cccc2
InChI	InChI=1S/C16H13NO/c18-16-13(11-14-6-3-4-10-17-14)9-8-12-5-1-2-7-15(12)16/h1-7,10-11H,8-9H2
InChIK	ZXFHIHFMBOWHPB-UHFFFAOYSA-N
TotalMolweight	235.285
Molweight	235.285
MonoisotopicMass	235.099714
CLogP	3.0659
CLogS	-3.512
H Acceptors	2
TotalSurfaceArea	188.26
Relative PSA	0.12754
PolarSurfaceArea	29.96
Druglikeness	-0.086834
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.61111
Fragments	1
Non HAtoms	18
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	1
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Aromatic Nitrogens	1
StereoCon

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