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2-[4-[(Z)-[3-[(Z)-[4-(carboxylatomethoxy)phenyl]methylideneamino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate

Formula:C21H14N2O7S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[4-[(Z)-[3-[(Z)-[4-(carboxylatomethoxy)phenyl]methylideneamino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate is a drug-like molecule.
MolName2-[4-[(Z)-[3-[(Z)-[4-(carboxylatomethoxy)phenyl]methylideneamino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate
MolecularFormulaC21H14N2O7S2
Smiles[O-]C(COc1ccc(/C=C(/C(N2/N=C\c(cc3)ccc3OCC([O-])=O)=O)\SC2=S)cc1)=O
InChIInChI=1S/C21H16N2O7S2/c24-18(25)11-29-15-5-1-13(2-6-15)9-17-20(28)23(21(31)32-17)22-10-14-3-7-16(8-4-14)30-12-19(26)27/h1-10H,11-12H2,(H,24,25)(H,26,27)/p-2
InChIKYTKVUSUBHPRDDT-UHFFFAOYSA-L
TotalMolweight470.481
Molweight470.481
MonoisotopicMass470.024243
CLogP-2.9768
CLogS-4.681
H Acceptors9
TotalSurfaceArea345.32
Relative PSA0.42925
PolarSurfaceArea188.78
Druglikeness4.8683
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde
Shape Index0.6875
Fragments1
Non HAtoms32
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond9
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms8
Symmetricatoms4
AcidicOxygens2
StereoCon

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