(5E)-5-[(5-bromofuran-2-yl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C14H7N2O4BrS2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (5E)-5-[(5-bromofuran-2-yl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5E)-5-[(5-bromofuran-2-yl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C14H7N2O4BrS2
Smiles	[O-][N+](c(cc1)ccc1N(C(/C(/S1)=C\c(o2)ccc2Br)=O)C1=S)=O
InChI	InChI=1S/C14H7BrN2O4S2/c15-12-6-5-10(21-12)7-11-13(18)16(14(22)23-11)8-1-3-9(4-2-8)17(19)20/h1-7H
InChIK	ALKRRWSPLNEMPF-UHFFFAOYSA-N
TotalMolweight	411.256
Molweight	411.256
MonoisotopicMass	409.903059
CLogP	1.982
CLogS	-5.722
H Acceptors	6
TotalSurfaceArea	254.47
Relative PSA	0.41895
PolarSurfaceArea	136.66
Druglikeness	-4.5512
Mutagenic	high
Tumorigenic	high
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	3
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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