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

Formula:C18H11N2O4I Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-2-(3-iodophenyl)-4-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4Z)-2-(3-iodophenyl)-4-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-1,3-oxazol-5-one
MolecularFormula	C18H11N2O4I
Smiles	[O-][N+](c1ccc(/C=C/C=C2\N=C(c3cccc(I)c3)OC2=O)cc1)=O
InChI	InChI=1S/C18H11IN2O4/c19-14-5-2-4-13(11-14)17-20-16(18(22)25-17)6-1-3-12-7-9-15(10-8-12)21(23)24/h1-11H
InChIK	POQKZDLVCHLZHR-UHFFFAOYSA-N
TotalMolweight	446.195
Molweight	446.195
MonoisotopicMass	445.976356
CLogP	2.7639
CLogS	-5.707
H Acceptors	6
TotalSurfaceArea	271.4
Relative PSA	0.23939
PolarSurfaceArea	84.48
Druglikeness	-3.3113
Mutagenic	none
Tumorigenic	none
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	2
AcidicOxygens	1
StereoCon

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