(5Z)-5-[[3-chloro-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C17H8N2O4ClF3S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[3-chloro-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-5-[[3-chloro-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C17H8N2O4ClF3S2
Smiles	[O-][N+](c(cc(C(F)(F)F)cc1)c1Oc(ccc(/C=C(/C(N1)=O)\SC1=S)c1)c1Cl)=O
InChI	InChI=1S/C17H8ClF3N2O4S2/c18-10-5-8(6-14-15(24)22-16(28)29-14)1-3-12(10)27-13-4-2-9(17(19,20)21)7-11(13)23(25)26/h1-7H,(H,22,24,28)
InChIK	MPBWUDPFPIHRNH-UHFFFAOYSA-N
TotalMolweight	460.84
Molweight	460.84
MonoisotopicMass	459.956609
CLogP	3.0725
CLogS	-7.771
H Acceptors	6
H Donors	1
TotalSurfaceArea	302.19
Relative PSA	0.36537
PolarSurfaceArea	141.54
Druglikeness	-9.8156
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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