2-[(5E)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetic acid

Formula:C22H14N2O6S2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(5E)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetic acid is a drug-like molecule.

MolName	2-[(5E)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetic acid
MolecularFormula	C22H14N2O6S2
Smiles	[O-][N+](c1cccc(-c2ccc(/C=C(\C(N3C(C(O)=O)c4ccccc4)=O)/SC3=S)o2)c1)=O
InChI	InChI=1S/C22H14N2O6S2/c25-20-18(32-22(31)23(20)19(21(26)27)13-5-2-1-3-6-13)12-16-9-10-17(30-16)14-7-4-8-15(11-14)24(28)29/h1-12,19H,(H,26,27)/t19-/m1/s1
InChIK	IVNZKITXBSOBQB-LJQANCHMSA-N
TotalMolweight	466.493
Molweight	466.493
MonoisotopicMass	466.029328
CLogP	1.8429
CLogS	-5.927
H Acceptors	8
H Donors	1
TotalSurfaceArea	332.2
Relative PSA	0.39961
PolarSurfaceArea	173.96
Druglikeness	-0.42596
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
StereoCenters	1
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	5
Symmetricatoms	2
Amides	1
AcidicOxygens	2
StereoCon	racemate

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1 - 2-[(5E)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetic acid | 2 - 2-[(5E)-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-phenylacetic acid

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