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

Formula:C17H11N2O6ClS2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[(5Z)-5-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid is a drug-like molecule.

MolName	3-[(5Z)-5-[[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
MolecularFormula	C17H11N2O6ClS2
Smiles	[O-][N+](c(cc1)cc(Cl)c1-c1ccc(/C=C(/C(N2CCC(O)=O)=O)\SC2=S)o1)=O
InChI	InChI=1S/C17H11ClN2O6S2/c18-12-7-9(20(24)25)1-3-11(12)13-4-2-10(26-13)8-14-16(23)19(17(27)28-14)6-5-15(21)22/h1-4,7-8H,5-6H2,(H,21,22)
InChIK	VTLCJQQFCODNFA-UHFFFAOYSA-N
TotalMolweight	438.867
Molweight	438.867
MonoisotopicMass	437.974705
CLogP	1.6048
CLogS	-5.839
H Acceptors	8
H Donors	1
TotalSurfaceArea	302.88
Relative PSA	0.43829
PolarSurfaceArea	173.96
Druglikeness	0.14988
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Amides	1
AcidicOxygens	2
StereoCon

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

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