(5E)-3-(2-fluorophenyl)-5-[(4-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one

Formula:C16H11N2O2FS Mutagenic:none Tumorigenic:none Reproductive Effective:high (5E)-3-(2-fluorophenyl)-5-[(4-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one is a drug-like molecule.

MolName(5E)-3-(2-fluorophenyl)-5-[(4-hydroxyphenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
MolecularFormulaC16H11N2O2FS
SmilesN=C(N(C1=O)c(cccc2)c2F)S/C1=C/c(cc1)ccc1O
InChIInChI=1S/C16H11FN2O2S/c17-12-3-1-2-4-13(12)19-15(21)14(22-16(19)18)9-10-5-7-11(20)8-6-10/h1-9,18,20H
InChIKFVNWCVLGKZCITN-UHFFFAOYSA-N
TotalMolweight314.339
Molweight314.339
MonoisotopicMass314.052526
CLogP2.5936
CLogS-3.83
H Acceptors4
H Donors2
TotalSurfaceArea222.78
Relative PSA0.2818
PolarSurfaceArea89.69
Druglikeness2.2018
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functions
Shape Index0.59091
Fragments1
Non HAtoms22
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond2
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms2
Symmetricatoms2
Amides1
StereoCon

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