[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl] 2,4-difluorobenzenesulfonate

Formula:C16H10N2O5F2S Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl] 2,4-difluorobenzenesulfonate is a drug-like molecule.

MolName[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenyl] 2,4-difluorobenzenesulfonate
MolecularFormulaC16H10N2O5F2S
SmilesO=C(/C(/N1)=C/c(cc2)ccc2OS(c(ccc(F)c2)c2F)(=O)=O)NC1=O
InChIInChI=1S/C16H10F2N2O5S/c17-10-3-6-14(12(18)8-10)26(23,24)25-11-4-1-9(2-5-11)7-13-15(21)20-16(22)19-13/h1-8H,(H2,19,20,21,22)
InChIKIBLLLBVKWOGDOM-UHFFFAOYSA-N
TotalMolweight380.326
Molweight380.326
MonoisotopicMass380.027849
CLogP1.9488
CLogS-4.138
H Acceptors7
H Donors2
TotalSurfaceArea253.93
Relative PSA0.3449
PolarSurfaceArea109.95
Druglikeness1.7825
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionslimit! 5-methylene-imidazolidine-2,4-dione
Shape Index0.61538
Fragments1
Non HAtoms26
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond4
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms2
Symmetricatoms3
Amides2
StereoCon

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