(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

Formula:C14H7NO3Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:none (5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName(5Z)-5-[[5-(3,5-dichlorophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
MolecularFormulaC14H7NO3Cl2S
SmilesO=C(/C(/S1)=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)NC1=O
InChIInChI=1S/C14H7Cl2NO3S/c15-8-3-7(4-9(16)5-8)11-2-1-10(20-11)6-12-13(18)17-14(19)21-12/h1-6H,(H,17,18,19)
InChIKWPKURZHZZVWWPN-UHFFFAOYSA-N
TotalMolweight340.186
Molweight340.186
MonoisotopicMass338.952368
CLogP3.6403
CLogS-6.081
H Acceptors4
H Donors1
TotalSurfaceArea229.21
Relative PSA0.30164
PolarSurfaceArea84.61
Druglikeness4.0181
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! methylene-thiazolidine-2,4-dione
Shape Index0.57143
Fragments1
Non HAtoms21
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond2
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms1
Symmetricatoms3
Amides1
StereoCon

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