4-[[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2,6-diiodophenoxy]methyl]benzoic acid

Formula:C18H12N2O5I2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2,6-diiodophenoxy]methyl]benzoic acid is not a drug-like molecule.

MolName	4-[[4-[(Z)-(2,5-dioxoimidazolidin-4-ylidene)methyl]-2,6-diiodophenoxy]methyl]benzoic acid
MolecularFormula	C18H12N2O5I2
Smiles	OC(c1ccc(COc(c(I)cc(/C=C(/C(N2)=O)\NC2=O)c2)c2I)cc1)=O
InChI	InChI=1S/C18H12I2N2O5/c19-12-5-10(7-14-16(23)22-18(26)21-14)6-13(20)15(12)27-8-9-1-3-11(4-2-9)17(24)25/h1-7H,8H2,(H,24,25)(H2,21,22,23,26)
InChIK	UEOZNJFNUHCZFR-UHFFFAOYSA-N
TotalMolweight	590.102
Molweight	590.102
MonoisotopicMass	589.883569
CLogP	2.5757
CLogS	-6.122
H Acceptors	7
H Donors	3
TotalSurfaceArea	303.07
Relative PSA	0.28093
PolarSurfaceArea	104.73
Druglikeness	3.4107
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	limit! 5-methylene-imidazolidine-2,4-dione
Shape Index	0.62963
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	5
Amides	2
AcidicOxygens	1
StereoCon

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