(4E)-4-[(Z)-2-bromo-3-phenylprop-2-enylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one

Formula:C18H11N2O4Br Mutagenic:high Tumorigenic:low Reproductive Effective:none (4E)-4-[(Z)-2-bromo-3-phenylprop-2-enylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4E)-4-[(Z)-2-bromo-3-phenylprop-2-enylidene]-2-(4-nitrophenyl)-1,3-oxazol-5-one
MolecularFormula	C18H11N2O4Br
Smiles	[O-][N+](c(cc1)ccc1C(OC1=O)=N/C1=C/C(/Br)=C/c1ccccc1)=O
InChI	InChI=1S/C18H11BrN2O4/c19-14(10-12-4-2-1-3-5-12)11-16-18(22)25-17(20-16)13-6-8-15(9-7-13)21(23)24/h1-11H
InChIK	GNHIUHYWMXYLRE-UHFFFAOYSA-N
TotalMolweight	399.199
Molweight	399.199
MonoisotopicMass	397.990219
CLogP	2.9194
CLogS	-5.524
H Acceptors	6
TotalSurfaceArea	261.96
Relative PSA	0.24801
PolarSurfaceArea	84.48
Druglikeness	-9.5396
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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