(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

Formula:C14H8N2O5S Mutagenic:high Tumorigenic:high Reproductive Effective:none (5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5Z)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
MolecularFormula	C14H8N2O5S
Smiles	[O-][N+](c(cccc1)c1-c1ccc(/C=C(/C(N2)=O)\SC2=O)o1)=O
InChI	InChI=1S/C14H8N2O5S/c17-13-12(22-14(18)15-13)7-8-5-6-11(21-8)9-3-1-2-4-10(9)16(19)20/h1-7H,(H,15,17,18)
InChIK	JXQAMMMVMMJMHJ-UHFFFAOYSA-N
TotalMolweight	316.293
Molweight	316.293
MonoisotopicMass	316.015393
CLogP	1.5067
CLogS	-5.069
H Acceptors	7
H Donors	1
TotalSurfaceArea	222.04
Relative PSA	0.44839
PolarSurfaceArea	130.43
Druglikeness	-1.075
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; limit! methylene-thiazolidine-2,4-dione
Shape Index	0.54545
Fragments	1
Non HAtoms	22
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Amides	1
AcidicOxygens	1
StereoCon

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