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

Formula:C16H8N2O4BrClS2 Mutagenic:low Tumorigenic:none Reproductive Effective:low (5E)-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5E)-5-[(5-bromo-3-chloro-2-hydroxyphenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C16H8N2O4BrClS2
Smiles	[O-][N+](c(cc1)ccc1N(C(/C(/S1)=C\c2cc(Br)cc(Cl)c2O)=O)C1=S)=O
InChI	InChI=1S/C16H8BrClN2O4S2/c17-9-5-8(14(21)12(18)7-9)6-13-15(22)19(16(25)26-13)10-1-3-11(4-2-10)20(23)24/h1-7,21H
InChIK	KVPJHVNZGACKPY-UHFFFAOYSA-N
TotalMolweight	471.739
Molweight	471.739
MonoisotopicMass	469.879736
CLogP	2.9562
CLogS	-6.717
H Acceptors	6
H Donors	1
TotalSurfaceArea	286.55
Relative PSA	0.36852
PolarSurfaceArea	143.75
Druglikeness	-3.9793
Mutagenic	low
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	3
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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