(5E)-3-(2-chlorophenyl)-5-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C22H12N2O3Cl2S3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-3-(2-chlorophenyl)-5-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.

MolName	(5E)-3-(2-chlorophenyl)-5-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C22H12N2O3Cl2S3
Smiles	[O-][N+](c(cc(/C=C(\C(N1c(cccc2)c2Cl)=O)/SC1=S)cc1)c1Sc(cc1)ccc1Cl)=O
InChI	InChI=1S/C22H12Cl2N2O3S3/c23-14-6-8-15(9-7-14)31-19-10-5-13(11-18(19)26(28)29)12-20-21(27)25(22(30)32-20)17-4-2-1-3-16(17)24/h1-12H
InChIK	ZKBOBLWTRLYDIQ-UHFFFAOYSA-N
TotalMolweight	519.452
Molweight	519.452
MonoisotopicMass	517.938707
CLogP	5.0038
CLogS	-8.701
H Acceptors	5
TotalSurfaceArea	354.24
Relative PSA	0.3105
PolarSurfaceArea	148.82
Druglikeness	-2.2179
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	aromatic nitro
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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1 - (5E)-3-(2-chlorophenyl)-5-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5E)-3-(2-chlorophenyl)-5-[[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

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