2-[2-chloro-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide

Formula:C12H9N2O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[2-chloro-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide is a drug-like molecule.

MolName2-[2-chloro-4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]acetamide
MolecularFormulaC12H9N2O4ClS
SmilesNC(COc(ccc(/C=C(/C(N1)=O)\SC1=O)c1)c1Cl)=O
InChIInChI=1S/C12H9ClN2O4S/c13-7-3-6(1-2-8(7)19-5-10(14)16)4-9-11(17)15-12(18)20-9/h1-4H,5H2,(H2,14,16)(H,15,17,18)
InChIKDZKGYSLHIZPEGR-UHFFFAOYSA-N
TotalMolweight312.732
Molweight312.732
MonoisotopicMass311.997155
CLogP0.7576
CLogS-3.754
H Acceptors6
H Donors2
TotalSurfaceArea214.37
Relative PSA0.43542
PolarSurfaceArea123.79
Druglikeness3.4983
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! methylene-thiazolidine-2,4-dione
Shape Index0.65
Fragments1
Non HAtoms20
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond4
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms6
Sp3Atoms3
Amides2
StereoCon

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