(5E)-5-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

Formula:C21H12N2O5BrFS Mutagenic:high Tumorigenic:high Reproductive Effective:none (5E)-5-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione is not a drug-like molecule.

MolName	(5E)-5-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione
MolecularFormula	C21H12N2O5BrFS
Smiles	[O-][N+](c(cc1)cc(Br)c1-c1ccc(/C=C(\C(N2Cc(cccc3)c3F)=O)/SC2=O)o1)=O
InChI	InChI=1S/C21H12BrFN2O5S/c22-16-9-13(25(28)29)5-7-15(16)18-8-6-14(30-18)10-19-20(26)24(21(27)31-19)11-12-3-1-2-4-17(12)23/h1-10H,11H2
InChIK	ASDYIEPFNNPWKB-UHFFFAOYSA-N
TotalMolweight	503.303
Molweight	503.303
MonoisotopicMass	501.963432
CLogP	4.0037
CLogS	-7.178
H Acceptors	7
TotalSurfaceArea	319.38
Relative PSA	0.28696
PolarSurfaceArea	121.64
Druglikeness	-2.9525
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; limit! methylene-thiazolidine-2,4-dione
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Amides	1
AcidicOxygens	1
StereoCon

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1 - (5E)-5-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione | 2 - (5E)-5-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-3-[(2-fluorophenyl)methyl]-1,3-thiazolidine-2,4-dione

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