(3E)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethylidene]-2-benzofuran-1-one

Formula:C19H15NO3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (3E)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethylidene]-2-benzofuran-1-one is a drug-like molecule.

MolName	(3E)-3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethylidene]-2-benzofuran-1-one
MolecularFormula	C19H15NO3
Smiles	O=C(/C=C(\c1c2cccc1)/OC2=O)N(CCC1)c2c1cccc2
InChI	InChI=1S/C19H15NO3/c21-18(20-11-5-7-13-6-1-4-10-16(13)20)12-17-14-8-2-3-9-15(14)19(22)23-17/h1-4,6,8-10,12H,5,7,11H2
InChIK	ROCHUNSVOSMAJC-UHFFFAOYSA-N
TotalMolweight	305.332
Molweight	305.332
MonoisotopicMass	305.105194
CLogP	3.309
CLogS	-4.12
H Acceptors	4
TotalSurfaceArea	227.81
Relative PSA	0.17396
PolarSurfaceArea	46.61
Druglikeness	0.82082
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions
Shape Index	0.52174
Fragments	1
Non HAtoms	23
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	1
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Amides	1
StereoCon

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