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

Formula:C16H8NO2BrCl2 Mutagenic:high Tumorigenic:none Reproductive Effective:none (4Z)-4-[(2-bromophenyl)methylidene]-3-(2,4-dichlorophenyl)-1,2-oxazol-5-one is not a drug-like molecule.

MolName	(4Z)-4-[(2-bromophenyl)methylidene]-3-(2,4-dichlorophenyl)-1,2-oxazol-5-one
MolecularFormula	C16H8NO2BrCl2
Smiles	O=C(/C1=C\c(cccc2)c2Br)ON=C1c(ccc(Cl)c1)c1Cl
InChI	InChI=1S/C16H8BrCl2NO2/c17-13-4-2-1-3-9(13)7-12-15(20-22-16(12)21)11-6-5-10(18)8-14(11)19/h1-8H
InChIK	IVOTZXTYYCBNMA-UHFFFAOYSA-N
TotalMolweight	397.055
Molweight	397.055
MonoisotopicMass	394.911544
CLogP	5.7279
CLogS	-6.477
H Acceptors	3
TotalSurfaceArea	244.42
Relative PSA	0.14136
PolarSurfaceArea	38.66
Druglikeness	-3.0308
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.54545
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
StereoCon

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