2-[(E)-2-(4-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one

Formula:C16H10N2O4 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-2-(4-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one is a drug-like molecule.

MolName	2-[(E)-2-(4-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one
MolecularFormula	C16H10N2O4
Smiles	[O-][N+](c1ccc(/C=C/C(O2)=Nc(cccc3)c3C2=O)cc1)=O
InChI	InChI=1S/C16H10N2O4/c19-16-13-3-1-2-4-14(13)17-15(22-16)10-7-11-5-8-12(9-6-11)18(20)21/h1-10H
InChIK	YLTSDKOGGWHGJN-UHFFFAOYSA-N
TotalMolweight	294.265
Molweight	294.265
MonoisotopicMass	294.064058
CLogP	1.7839
CLogS	-4.171
H Acceptors	6
TotalSurfaceArea	220.41
Relative PSA	0.29477
PolarSurfaceArea	84.48
Druglikeness	-5.5143
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.63636
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	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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