(5Z)-5-[[4-[(3-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

Formula:C17H12NO3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[[4-[(3-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName(5Z)-5-[[4-[(3-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
MolecularFormulaC17H12NO3ClS
SmilesO=C(/C(/S1)=C/c(cc2)ccc2OCc2cccc(Cl)c2)NC1=O
InChIInChI=1S/C17H12ClNO3S/c18-13-3-1-2-12(8-13)10-22-14-6-4-11(5-7-14)9-15-16(20)19-17(21)23-15/h1-9H,10H2,(H,19,20,21)
InChIKWKGUDPFFWIPJFG-UHFFFAOYSA-N
TotalMolweight345.805
Molweight345.805
MonoisotopicMass345.022641
CLogP3.4435
CLogS-5.226
H Acceptors4
H Donors1
TotalSurfaceArea247.86
Relative PSA0.26237
PolarSurfaceArea80.7
Druglikeness2.8518
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! methylene-thiazolidine-2,4-dione
Shape Index0.65217
Fragments1
Non HAtoms23
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond4
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms3
Symmetricatoms2
Amides1
StereoCon

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