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

Formula:C14H8NO3Br Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-4-[(3-bromophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4E)-4-[(3-bromophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
MolecularFormula	C14H8NO3Br
Smiles	O=C1OC(c2ccco2)=N/C1=C/c1cccc(Br)c1
InChI	InChI=1S/C14H8BrNO3/c15-10-4-1-3-9(7-10)8-11-14(17)19-13(16-11)12-5-2-6-18-12/h1-8H
InChIK	BICKVUMHWTWFKA-UHFFFAOYSA-N
TotalMolweight	318.126
Molweight	318.126
MonoisotopicMass	316.968755
CLogP	2.5057
CLogS	-4.435
H Acceptors	4
TotalSurfaceArea	203.27
Relative PSA	0.23939
PolarSurfaceArea	51.8
Druglikeness	-1.1815
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57895
Fragments	1
Non HAtoms	19
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
StereoCon

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