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

Formula:C20H12N2O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none (4E)-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4E)-4-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-2-phenyl-1,3-oxazol-5-one
MolecularFormula	C20H12N2O5
Smiles	[O-][N+](c(cc1)ccc1-c1ccc(/C=C2/N=C(c3ccccc3)OC2=O)o1)=O
InChI	InChI=1S/C20H12N2O5/c23-20-17(21-19(27-20)14-4-2-1-3-5-14)12-16-10-11-18(26-16)13-6-8-15(9-7-13)22(24)25/h1-12H
InChIK	HFFARIVKYHMCLJ-UHFFFAOYSA-N
TotalMolweight	360.324
Molweight	360.324
MonoisotopicMass	360.074623
CLogP	2.6091
CLogS	-5.839
H Acceptors	7
TotalSurfaceArea	268.07
Relative PSA	0.295
PolarSurfaceArea	97.62
Druglikeness	-3.1244
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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