[(2Z)-2-[(4-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 3-nitrobenzoate

Formula:C22H12NO6Br Mutagenic:none Tumorigenic:none Reproductive Effective:none [(2Z)-2-[(4-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 3-nitrobenzoate is a drug-like molecule.

MolName	[(2Z)-2-[(4-bromophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 3-nitrobenzoate
MolecularFormula	C22H12NO6Br
Smiles	[O-][N+](c1cccc(C(Oc(cc2)cc(O/C3=C\c(cc4)ccc4Br)c2C3=O)=O)c1)=O
InChI	InChI=1S/C22H12BrNO6/c23-15-6-4-13(5-7-15)10-20-21(25)18-9-8-17(12-19(18)30-20)29-22(26)14-2-1-3-16(11-14)24(27)28/h1-12H
InChIK	RRXNMGSDRYYZEN-UHFFFAOYSA-N
TotalMolweight	466.242
Molweight	466.242
MonoisotopicMass	464.9848
CLogP	4.5527
CLogS	-6.906
H Acceptors	7
TotalSurfaceArea	301.79
Relative PSA	0.25349
PolarSurfaceArea	98.42
Druglikeness	-6.9058
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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