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

Formula:C17H9NO2BrF3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-2-(4-bromophenyl)-4-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4E)-2-(4-bromophenyl)-4-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-oxazol-5-one
MolecularFormula	C17H9NO2BrF3
Smiles	O=C1OC(c(cc2)ccc2Br)=N/C1=C/c1c(C(F)(F)F)cccc1
InChI	InChI=1S/C17H9BrF3NO2/c18-12-7-5-10(6-8-12)15-22-14(16(23)24-15)9-11-3-1-2-4-13(11)17(19,20)21/h1-9H
InChIK	IJWLYJGAZBLHKD-UHFFFAOYSA-N
TotalMolweight	396.161
Molweight	396.161
MonoisotopicMass	394.976874
CLogP	4.1653
CLogS	-5.531
H Acceptors	3
TotalSurfaceArea	243.04
Relative PSA	0.14216
PolarSurfaceArea	38.66
Druglikeness	-8.1429
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
StereoCon

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