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

Formula:C20H10N2O4ClFS2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (5E)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5E)-5-[[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C20H10N2O4ClFS2
Smiles	[O-][N+](c(cc1)ccc1N(C(/C(/S1)=C\c2ccc(-c(cc3)cc(Cl)c3F)o2)=O)C1=S)=O
InChI	InChI=1S/C20H10ClFN2O4S2/c21-15-9-11(1-7-16(15)22)17-8-6-14(28-17)10-18-19(25)23(20(29)30-18)12-2-4-13(5-3-12)24(26)27/h1-10H
InChIK	CFTWQDYIKMEHML-UHFFFAOYSA-N
TotalMolweight	460.892
Molweight	460.892
MonoisotopicMass	459.975453
CLogP	3.6164
CLogS	-7.953
H Acceptors	6
TotalSurfaceArea	317.37
Relative PSA	0.33592
PolarSurfaceArea	136.66
Druglikeness	-2.5235
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
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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