3-[(E)-2-(3-nitrophenyl)ethenyl]-1H-quinoxalin-2-one

Formula:C16H11N3O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(E)-2-(3-nitrophenyl)ethenyl]-1H-quinoxalin-2-one is a drug-like molecule.

MolName	3-[(E)-2-(3-nitrophenyl)ethenyl]-1H-quinoxalin-2-one
MolecularFormula	C16H11N3O3
Smiles	[O-][N+](c1cc(/C=C/C2=Nc(cccc3)c3NC2=O)ccc1)=O
InChI	InChI=1S/C16H11N3O3/c20-16-15(17-13-6-1-2-7-14(13)18-16)9-8-11-4-3-5-12(10-11)19(21)22/h1-10H,(H,18,20)
InChIK	MIDHEQVEQSEWKD-UHFFFAOYSA-N
TotalMolweight	293.281
Molweight	293.281
MonoisotopicMass	293.080042
CLogP	1.3133
CLogS	-4.012
H Acceptors	6
H Donors	1
TotalSurfaceArea	221.87
Relative PSA	0.29941
PolarSurfaceArea	87.28
Druglikeness	-1.9825
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Amides	1
AcidicOxygens	1
StereoCon

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