(4Z)-4-[(4-bromothiophen-2-yl)methylidene]-2-(2-chloro-4-nitrophenyl)-1,3-oxazol-5-one

Formula:C14H6N2O4BrClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-4-[(4-bromothiophen-2-yl)methylidene]-2-(2-chloro-4-nitrophenyl)-1,3-oxazol-5-one is a drug-like molecule.

MolName	(4Z)-4-[(4-bromothiophen-2-yl)methylidene]-2-(2-chloro-4-nitrophenyl)-1,3-oxazol-5-one
MolecularFormula	C14H6N2O4BrClS
Smiles	[O-][N+](c(cc1)cc(Cl)c1C(OC1=O)=N/C1=C\c1cc(Br)cs1)=O
InChI	InChI=1S/C14H6BrClN2O4S/c15-7-3-9(23-6-7)5-12-14(19)22-13(17-12)10-2-1-8(18(20)21)4-11(10)16/h1-6H
InChIK	FUTMDTOKLIPHRU-UHFFFAOYSA-N
TotalMolweight	413.635
Molweight	413.635
MonoisotopicMass	411.892016
CLogP	2.868
CLogS	-5.959
H Acceptors	6
TotalSurfaceArea	248.61
Relative PSA	0.34323
PolarSurfaceArea	112.72
Druglikeness	-8.2635
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
AcidicOxygens	1
StereoCon

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