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

Formula:C20H10N2O4BrIS2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (5E)-5-[[5-(2-bromo-5-nitrophenyl)furan-2-yl]methylidene]-3-(4-iodophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.

MolName	(5E)-5-[[5-(2-bromo-5-nitrophenyl)furan-2-yl]methylidene]-3-(4-iodophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C20H10N2O4BrIS2
Smiles	[O-][N+](c(cc1)cc(-c2ccc(/C=C(\C(N3c(cc4)ccc4I)=O)/SC3=S)o2)c1Br)=O
InChI	InChI=1S/C20H10BrIN2O4S2/c21-16-7-5-13(24(26)27)9-15(16)17-8-6-14(28-17)10-18-19(25)23(20(29)30-18)12-3-1-11(22)2-4-12/h1-10H
InChIK	JRJFIUSFALNKCM-UHFFFAOYSA-N
TotalMolweight	613.245
Molweight	613.245
MonoisotopicMass	611.831007
CLogP	4.0719
CLogS	-8.753
H Acceptors	6
TotalSurfaceArea	340.51
Relative PSA	0.31309
PolarSurfaceArea	136.66
Druglikeness	-2.5844
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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1 - (5E)-5-[[5-(2-bromo-5-nitrophenyl)furan-2-yl]methylidene]-3-(4-iodophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-5-[[5-(2-bromo-5-nitrophenyl)furan-2-yl]methylidene]-3-(4-iodophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

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