(2E)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-3,4-dihydronaphthalen-1-one

Formula:C19H15NO3 Mutagenic:none Tumorigenic:none Reproductive Effective:high (2E)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-3,4-dihydronaphthalen-1-one is a drug-like molecule.

MolName	(2E)-2-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-3,4-dihydronaphthalen-1-one
MolecularFormula	C19H15NO3
Smiles	[O-][N+](c1c(/C=C/C=C(\CCc2c3cccc2)/C3=O)cccc1)=O
InChI	InChI=1S/C19H15NO3/c21-19-16(13-12-14-6-1-3-10-17(14)19)9-5-8-15-7-2-4-11-18(15)20(22)23/h1-11H,12-13H2
InChIK	ZCLQRBRWLWODRM-UHFFFAOYSA-N
TotalMolweight	305.332
Molweight	305.332
MonoisotopicMass	305.105194
CLogP	3.7478
CLogS	-5.055
H Acceptors	4
TotalSurfaceArea	239.67
Relative PSA	0.18133
PolarSurfaceArea	62.89
Druglikeness	-5.0741
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
AcidicOxygens	1
StereoCon

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