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

Formula:C16H8NO2BrCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-4-[(4-bromophenyl)methylidene]-2-(2,4-dichlorophenyl)-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4E)-4-[(4-bromophenyl)methylidene]-2-(2,4-dichlorophenyl)-1,3-oxazol-5-one
MolecularFormula	C16H8NO2BrCl2
Smiles	O=C1OC(c(ccc(Cl)c2)c2Cl)=N/C1=C/c(cc1)ccc1Br
InChI	InChI=1S/C16H8BrCl2NO2/c17-10-3-1-9(2-4-10)7-14-16(21)22-15(20-14)12-6-5-11(18)8-13(12)19/h1-8H
InChIK	OIELPEQUYYODOE-UHFFFAOYSA-N
TotalMolweight	397.055
Molweight	397.055
MonoisotopicMass	394.911544
CLogP	4.529
CLogS	-6.225
H Acceptors	3
TotalSurfaceArea	244.42
Relative PSA	0.14136
PolarSurfaceArea	38.66
Druglikeness	-0.8589
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	1
Symmetricatoms	2
StereoCon

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