(5E)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C16H9NO2Br2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.

MolName(5E)-5-[(3,5-dibromo-2-hydroxyphenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC16H9NO2Br2S2
SmilesOc(c(/C=C(\C(N1c2ccccc2)=O)/SC1=S)cc(Br)c1)c1Br
InChIInChI=1S/C16H9Br2NO2S2/c17-10-6-9(14(20)12(18)8-10)7-13-15(21)19(16(22)23-13)11-4-2-1-3-5-11/h1-8,20H
InChIKNIFBHCRQGXSBEC-UHFFFAOYSA-N
TotalMolweight471.192
Molweight471.192
MonoisotopicMass468.844141
CLogP3.997
CLogS-6.355
H Acceptors3
H Donors1
TotalSurfaceArea266.09
Relative PSA0.28254
PolarSurfaceArea97.93
Druglikeness0.995
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.52174
Fragments1
Non HAtoms23
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond2
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms3
Symmetricatoms2
Amides1
StereoCon

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