2-[[4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2,6-diiodophenoxy]methyl]benzonitrile

Formula:C18H11N3O3I2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2,6-diiodophenoxy]methyl]benzonitrile is not a drug-like molecule.

MolName	2-[[4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2,6-diiodophenoxy]methyl]benzonitrile
MolecularFormula	C18H11N3O3I2
Smiles	N#Cc1c(COc(c(I)cc(/C=C(\C(N2)=O)/NC2=O)c2)c2I)cccc1
InChI	InChI=1S/C18H11I2N3O3/c19-13-5-10(7-15-17(24)23-18(25)22-15)6-14(20)16(13)26-9-12-4-2-1-3-11(12)8-21/h1-7H,9H2,(H2,22,23,24,25)
InChIK	BXQOQNPUCAIFFQ-UHFFFAOYSA-N
TotalMolweight	571.103
Molweight	571.103
MonoisotopicMass	570.888988
CLogP	2.9262
CLogS	-6.882
H Acceptors	6
H Donors	2
TotalSurfaceArea	300.68
Relative PSA	0.24132
PolarSurfaceArea	91.22
Druglikeness	-0.85523
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! 5-methylene-imidazolidine-2,4-dione
Shape Index	0.57692
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	3
Amides	2
StereoCon

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1 - 2-[[4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2,6-diiodophenoxy]methyl]benzonitrile | 2 - 2-[[4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2,6-diiodophenoxy]methyl]benzonitrile

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