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

Formula:C28H18N3O6BrS Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-[[(5E)-5-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]methyl]benzoic acid is not a drug-like molecule.

MolName	4-[[(5E)-5-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]methyl]benzoic acid
MolecularFormula	C28H18N3O6BrS
Smiles	[O-][N+](c(cc1)cc(Br)c1-c1ccc(/C=C(\C(N2Cc(cc3)ccc3C(O)=O)=O)/S/C2=N\c2ccccc2)o1)=O
InChI	InChI=1S/C28H18BrN3O6S/c29-23-14-20(32(36)37)10-12-22(23)24-13-11-21(38-24)15-25-26(33)31(16-17-6-8-18(9-7-17)27(34)35)28(39-25)30-19-4-2-1-3-5-19/h1-15H,16H2,(H,34,35)
InChIK	IIUVXFLRRUATPU-UHFFFAOYSA-N
TotalMolweight	604.436
Molweight	604.436
MonoisotopicMass	603.009968
CLogP	4.8285
CLogS	-8.095
H Acceptors	9
H Donors	1
TotalSurfaceArea	402.11
Relative PSA	0.28912
PolarSurfaceArea	154.23
Druglikeness	-1.5242
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51282
Fragments	1
Non HAtoms	39
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	4
Symmetricatoms	4
Amides	1
AcidicOxygens	2
StereoCon

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

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