4-[[(5E)-5-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]methyl]benzoic acid

Formula:C24H16N3O6BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[(5E)-5-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]methyl]benzoic acid is not a drug-like molecule.

MolName	4-[[(5E)-5-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]methyl]benzoic acid
MolecularFormula	C24H16N3O6BrS
Smiles	[O-][N+](c1cc(/C=C(\C(N2Cc(cc3)ccc3C(O)=O)=O)/S/C2=N\c2ccccc2)cc(Br)c1O)=O
InChI	InChI=1S/C24H16BrN3O6S/c25-18-10-15(11-19(21(18)29)28(33)34)12-20-22(30)27(13-14-6-8-16(9-7-14)23(31)32)24(35-20)26-17-4-2-1-3-5-17/h1-12,29H,13H2,(H,31,32)
InChIK	OXMLMJVJIIYSKS-UHFFFAOYSA-N
TotalMolweight	554.376
Molweight	554.376
MonoisotopicMass	552.994318
CLogP	3.5439
CLogS	-6.339
H Acceptors	9
H Donors	2
TotalSurfaceArea	359.01
Relative PSA	0.32102
PolarSurfaceArea	161.32
Druglikeness	-2.4344
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.45714
Fragments	1
Non HAtoms	35
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	5
Symmetricatoms	4
Amides	1
AcidicOxygens	2
StereoCon

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1 - 4-[[(5E)-5-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]methyl]benzoic acid | 2 - 4-[[(5E)-5-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]methyl]benzoic acid

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