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

Formula:C21H13N2O4ClS2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (5E)-3-benzyl-5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5E)-3-benzyl-5-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C21H13N2O4ClS2
Smiles	[O-][N+](c(cc(cc1)-c2ccc(/C=C(\C(N3Cc4ccccc4)=O)/SC3=S)o2)c1Cl)=O
InChI	InChI=1S/C21H13ClN2O4S2/c22-16-8-6-14(10-17(16)24(26)27)18-9-7-15(28-18)11-19-20(25)23(21(29)30-19)12-13-4-2-1-3-5-13/h1-11H,12H2
InChIK	SZASKBRNCVDYRB-UHFFFAOYSA-N
TotalMolweight	456.929
Molweight	456.929
MonoisotopicMass	456.000525
CLogP	3.4385
CLogS	-7.117
H Acceptors	6
TotalSurfaceArea	324.78
Relative PSA	0.32825
PolarSurfaceArea	136.66
Druglikeness	-0.10634
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	4
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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