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

Formula:C16H9N2O3BrS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5E)-3-(4-bromophenyl)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5E)-3-(4-bromophenyl)-5-[(3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C16H9N2O3BrS2
Smiles	[O-][N+](c1cccc(/C=C(\C(N2c(cc3)ccc3Br)=O)/SC2=S)c1)=O
InChI	InChI=1S/C16H9BrN2O3S2/c17-11-4-6-12(7-5-11)18-15(20)14(24-16(18)23)9-10-2-1-3-13(8-10)19(21)22/h1-9H
InChIK	NPUDOPZBRYLMGW-UHFFFAOYSA-N
TotalMolweight	421.294
Molweight	421.294
MonoisotopicMass	419.923794
CLogP	2.6959
CLogS	-6.277
H Acceptors	5
TotalSurfaceArea	264.78
Relative PSA	0.34935
PolarSurfaceArea	123.52
Druglikeness	-4.0783
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58333
Fragments	1
Non HAtoms	24
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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