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

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

MolName	(4Z)-2-(4-bromophenyl)-4-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-1,3-oxazol-5-one
MolecularFormula	C18H11N2O4Br
Smiles	[O-][N+](c1ccc(/C=C/C=C2\N=C(c(cc3)ccc3Br)OC2=O)cc1)=O
InChI	InChI=1S/C18H11BrN2O4/c19-14-8-6-13(7-9-14)17-20-16(18(22)25-17)3-1-2-12-4-10-15(11-5-12)21(23)24/h1-11H
InChIK	OMRIQJBFBNZLNW-UHFFFAOYSA-N
TotalMolweight	399.199
Molweight	399.199
MonoisotopicMass	397.990219
CLogP	3.052
CLogS	-5.525
H Acceptors	6
TotalSurfaceArea	263.75
Relative PSA	0.24633
PolarSurfaceArea	84.48
Druglikeness	-5.6477
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.68
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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