(5Z)-5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C16H8N3O6BrS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName	(5Z)-5-[(3-bromo-2-hydroxy-5-nitrophenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormula	C16H8N3O6BrS2
Smiles	[O-][N+](c(cc1)ccc1N(C(/C(/S1)=C/c2cc([N+]([O-])=O)cc(Br)c2O)=O)C1=S)=O
InChI	InChI=1S/C16H8BrN3O6S2/c17-12-7-11(20(25)26)5-8(14(12)21)6-13-15(22)18(16(27)28-13)9-1-3-10(4-2-9)19(23)24/h1-7,21H
InChIK	XPKXLEFIBHBPKU-UHFFFAOYSA-N
TotalMolweight	482.291
Molweight	482.291
MonoisotopicMass	480.903788
CLogP	1.4286
CLogS	-6.441
H Acceptors	9
H Donors	1
TotalSurfaceArea	294.8
Relative PSA	0.4614
PolarSurfaceArea	189.57
Druglikeness	-4.051
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	2
Amides	1
AcidicOxygens	2
StereoCon

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