(5E)-5-[[4-(2,4-dinitrophenoxy)phenyl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

Formula:C23H12N3O6F3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-5-[[4-(2,4-dinitrophenoxy)phenyl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one is not a drug-like molecule.

MolName	(5E)-5-[[4-(2,4-dinitrophenoxy)phenyl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
MolecularFormula	C23H12N3O6F3S2
Smiles	[O-][N+](c(cc1)cc([N+]([O-])=O)c1Oc1ccc(/C=C(\C(N2c3cc(C(F)(F)F)ccc3)=O)/SC2=S)cc1)=O
InChI	InChI=1S/C23H12F3N3O6S2/c24-23(25,26)14-2-1-3-15(11-14)27-21(30)20(37-22(27)36)10-13-4-7-17(8-5-13)35-19-9-6-16(28(31)32)12-18(19)29(33)34/h1-12H
InChIK	CIGZZCFEKHWIQK-UHFFFAOYSA-N
TotalMolweight	547.489
Molweight	547.489
MonoisotopicMass	547.011961
CLogP	3.293
CLogS	-8.978
H Acceptors	9
TotalSurfaceArea	369.04
Relative PSA	0.36018
PolarSurfaceArea	178.57
Druglikeness	-9.473
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.54054
Fragments	1
Non HAtoms	37
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	7
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	4
Amides	1
AcidicOxygens	2
StereoCon

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1 - (5E)-5-[[4-(2,4-dinitrophenoxy)phenyl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one | 2 - (5E)-5-[[4-(2,4-dinitrophenoxy)phenyl]methylidene]-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

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