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

Formula:C16H9N2O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 6-bromo-2-[(E)-2-(3-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one is a drug-like molecule.

MolName	6-bromo-2-[(E)-2-(3-nitrophenyl)ethenyl]-3,1-benzoxazin-4-one
MolecularFormula	C16H9N2O4Br
Smiles	[O-][N+](c1cccc(/C=C/C(O2)=Nc(ccc(Br)c3)c3C2=O)c1)=O
InChI	InChI=1S/C16H9BrN2O4/c17-11-5-6-14-13(9-11)16(20)23-15(18-14)7-4-10-2-1-3-12(8-10)19(21)22/h1-9H
InChIK	LYHFJLDBRJKNBU-UHFFFAOYSA-N
TotalMolweight	373.161
Molweight	373.161
MonoisotopicMass	371.974569
CLogP	2.5091
CLogS	-5.005
H Acceptors	6
TotalSurfaceArea	239.04
Relative PSA	0.2718
PolarSurfaceArea	84.48
Druglikeness	-7.3043
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
AcidicOxygens	1
StereoCon

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