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

Formula:C16H9N2O6ClS2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[(5E)-5-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid is a drug-like molecule.

MolName	2-[(5E)-5-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
MolecularFormula	C16H9N2O6ClS2
Smiles	[O-][N+](c(cc1)cc(Cl)c1-c1ccc(/C=C(\C(N2CC(O)=O)=O)/SC2=S)o1)=O
InChI	InChI=1S/C16H9ClN2O6S2/c17-11-5-8(19(23)24)1-3-10(11)12-4-2-9(25-12)6-13-15(22)18(7-14(20)21)16(26)27-13/h1-6H,7H2,(H,20,21)
InChIK	CLHFOCNNCZBREZ-UHFFFAOYSA-N
TotalMolweight	424.84
Molweight	424.84
MonoisotopicMass	423.959055
CLogP	1.1504
CLogS	-5.569
H Acceptors	8
H Donors	1
TotalSurfaceArea	289.12
Relative PSA	0.45915
PolarSurfaceArea	173.96
Druglikeness	-5.7189
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Amides	1
AcidicOxygens	2
StereoCon

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

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