2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-hydroxyphenyl)acetamide

Formula:C18H13N2O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-hydroxyphenyl)acetamide is a drug-like molecule.

MolName2-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-hydroxyphenyl)acetamide
MolecularFormulaC18H13N2O4ClS
SmilesOc(cc1)ccc1NC(CN(C(/C(/S1)=C/c(cc2)ccc2Cl)=O)C1=O)=O
InChIInChI=1S/C18H13ClN2O4S/c19-12-3-1-11(2-4-12)9-15-17(24)21(18(25)26-15)10-16(23)20-13-5-7-14(22)8-6-13/h1-9,22H,10H2,(H,20,23)
InChIKLMDCMTQKMVIYNI-UHFFFAOYSA-N
TotalMolweight388.83
Molweight388.83
MonoisotopicMass388.028455
CLogP2.795
CLogS-4.501
H Acceptors6
H Donors2
TotalSurfaceArea272.26
Relative PSA0.31117
PolarSurfaceArea112.01
Druglikeness5.2163
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! methylene-thiazolidine-2,4-dione
Shape Index0.65385
Fragments1
Non HAtoms26
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond4
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms3
Symmetricatoms4
Amides2
StereoCon

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