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

Formula:C16H8N3O5ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-5-[(2-chloro-5-nitrophenyl)methylidene]-3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5E)-5-[(2-chloro-5-nitrophenyl)methylidene]-3-(3-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C16H8N3O5ClS2
Smiles	[O-][N+](c1cccc(N(C(/C(/S2)=C\c(cc(cc3)[N+]([O-])=O)c3Cl)=O)C2=S)c1)=O
InChI	InChI=1S/C16H8ClN3O5S2/c17-13-5-4-12(20(24)25)6-9(13)7-14-15(21)18(16(26)27-14)10-2-1-3-11(8-10)19(22)23/h1-8H
InChIK	XIZLVRCUKBVCTK-UHFFFAOYSA-N
TotalMolweight	421.841
Molweight	421.841
MonoisotopicMass	420.959389
CLogP	1.6551
CLogS	-6.639
H Acceptors	8
TotalSurfaceArea	285.24
Relative PSA	0.43094
PolarSurfaceArea	169.34
Druglikeness	-2.2179
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Amides	1
AcidicOxygens	2
StereoCon

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