N-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide

Formula:C17H12N2O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide is a drug-like molecule.

MolNameN-[(5Z)-5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl]-2-hydroxybenzamide
MolecularFormulaC17H12N2O4S
SmilesOc(cccc1)c1C(NN(C(/C(/S1)=C/c2ccccc2)=O)C1=O)=O
InChIInChI=1S/C17H12N2O4S/c20-13-9-5-4-8-12(13)15(21)18-19-16(22)14(24-17(19)23)10-11-6-2-1-3-7-11/h1-10,20H,(H,18,21)
InChIKJKCAACOFRCYNGP-UHFFFAOYSA-N
TotalMolweight340.358
Molweight340.358
MonoisotopicMass340.051778
CLogP1.4707
CLogS-4.037
H Acceptors6
H Donors2
TotalSurfaceArea243.08
Relative PSA0.34853
PolarSurfaceArea112.01
Druglikeness4.3021
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! methylene-thiazolidine-2,4-dione
Shape Index0.58333
Fragments1
Non HAtoms24
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond3
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms2
Symmetricatoms2
StereoCon

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