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

Formula:C16H10NO3Br Mutagenic:high Tumorigenic:high Reproductive Effective:none (4E)-4-[(5-bromofuran-2-yl)methylidene]-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4E)-4-[(5-bromofuran-2-yl)methylidene]-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
MolecularFormula	C16H10NO3Br
Smiles	O=C1OC(/C=C/c2ccccc2)=N/C1=C/c(o1)ccc1Br
InChI	InChI=1S/C16H10BrNO3/c17-14-8-7-12(20-14)10-13-16(19)21-15(18-13)9-6-11-4-2-1-3-5-11/h1-10H
InChIK	RRHQDCJKNLLQHC-UHFFFAOYSA-N
TotalMolweight	344.163
Molweight	344.163
MonoisotopicMass	342.984405
CLogP	2.9576
CLogS	-4.568
H Acceptors	4
TotalSurfaceArea	229.77
Relative PSA	0.21178
PolarSurfaceArea	51.8
Druglikeness	-1.3624
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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