(2Z)-2-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]-1-benzothiophen-3-one

Formula:C19H16N2O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (2Z)-2-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]-1-benzothiophen-3-one is a drug-like molecule.

MolName	(2Z)-2-[(4-morpholin-4-yl-3-nitrophenyl)methylidene]-1-benzothiophen-3-one
MolecularFormula	C19H16N2O4S
Smiles	[O-][N+](c(cc(/C=C1\Sc(cccc2)c2C1=O)cc1)c1N1CCOCC1)=O
InChI	InChI=1S/C19H16N2O4S/c22-19-14-3-1-2-4-17(14)26-18(19)12-13-5-6-15(16(11-13)21(23)24)20-7-9-25-10-8-20/h1-6,11-12H,7-10H2
InChIK	QAKKSAVLFFBTDK-UHFFFAOYSA-N
TotalMolweight	368.412
Molweight	368.412
MonoisotopicMass	368.083078
CLogP	1.8171
CLogS	-5.319
H Acceptors	6
TotalSurfaceArea	264.98
Relative PSA	0.28115
PolarSurfaceArea	100.66
Druglikeness	-1.9833
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	2
Amines	1
Aromatic Amines	1
AcidicOxygens	1
StereoCon

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