(4Z)-2-(4-bromophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one

Formula:C20H11N2O5Br Mutagenic:high Tumorigenic:high Reproductive Effective:none (4Z)-2-(4-bromophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4Z)-2-(4-bromophenyl)-4-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-oxazol-5-one
MolecularFormula	C20H11N2O5Br
Smiles	[O-][N+](c(cccc1)c1-c1ccc(/C=C2\N=C(c(cc3)ccc3Br)OC2=O)o1)=O
InChI	InChI=1S/C20H11BrN2O5/c21-13-7-5-12(6-8-13)19-22-16(20(24)28-19)11-14-9-10-18(27-14)15-3-1-2-4-17(15)23(25)26/h1-11H/b16-11-
InChIK	IENLOXHEFNRJBK-WJDWOHSUSA-N
TotalMolweight	439.22
Molweight	439.22
MonoisotopicMass	437.985134
CLogP	3.3343
CLogS	-6.673
H Acceptors	7
TotalSurfaceArea	286.7
Relative PSA	0.27583
PolarSurfaceArea	97.62
Druglikeness	-4.9144
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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