(5Z)-5-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

Formula:C14H7NO3BrClS2 Mutagenic:high Tumorigenic:none Reproductive Effective:none (5Z)-5-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5Z)-5-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
MolecularFormula	C14H7NO3BrClS2
Smiles	O=C(/C(/S1)=C/c(o2)cc(Br)c2Sc(cc2)ccc2Cl)NC1=O
InChI	InChI=1S/C14H7BrClNO3S2/c15-10-5-8(6-11-12(18)17-14(19)22-11)20-13(10)21-9-3-1-7(16)2-4-9/h1-6H,(H,17,18,19)
InChIK	JFVPEDHDPWRLGV-UHFFFAOYSA-N
TotalMolweight	416.703
Molweight	416.703
MonoisotopicMass	414.873922
CLogP	3.9278
CLogS	-5.95
H Acceptors	4
H Donors	1
TotalSurfaceArea	249.91
Relative PSA	0.34664
PolarSurfaceArea	109.91
Druglikeness	-2.3398
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! methylene-thiazolidine-2,4-dione
Shape Index	0.63636
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
Symmetricatoms	2
Amides	1
StereoCon

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1 - (5Z)-5-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1,3-thiazolidine-2,4-dione | 2 - (5Z)-5-[[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

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