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

Formula:C16H9N2O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 7-chloro-2-[(E)-2-(4-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one is a drug-like molecule.

MolName	7-chloro-2-[(E)-2-(4-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one
MolecularFormula	C16H9N2O4Cl
Smiles	[O-][N+](c1ccc(/C=C/C(O2)=Nc(cc(cc3)Cl)c3C2=O)cc1)=O
InChI	InChI=1S/C16H9ClN2O4/c17-11-4-7-13-14(9-11)18-15(23-16(13)20)8-3-10-1-5-12(6-2-10)19(21)22/h1-9H
InChIK	QSFHJMMOBLSFOC-UHFFFAOYSA-N
TotalMolweight	328.71
Molweight	328.71
MonoisotopicMass	328.025085
CLogP	2.3899
CLogS	-4.907
H Acceptors	6
TotalSurfaceArea	235.83
Relative PSA	0.2755
PolarSurfaceArea	84.48
Druglikeness	-5.3925
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	7
Electronegative Atoms	7
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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