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

Formula:C18H11N3O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[2,6-dichloro-4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzonitrile is a drug-like molecule.

MolName	2-[[2,6-dichloro-4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzonitrile
MolecularFormula	C18H11N3O3Cl2
Smiles	N#Cc1c(COc(c(Cl)cc(/C=C(\C(N2)=O)/NC2=O)c2)c2Cl)cccc1
InChI	InChI=1S/C18H11Cl2N3O3/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	DFEAHZLQIJJUEN-UHFFFAOYSA-N
TotalMolweight	388.209
Molweight	388.209
MonoisotopicMass	387.017746
CLogP	3.264
CLogS	-6.322
H Acceptors	6
H Donors	2
TotalSurfaceArea	278.96
Relative PSA	0.26011
PolarSurfaceArea	91.22
Druglikeness	-1.2679
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-[[2,6-dichloro-4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzonitrile | 2 - 2-[[2,6-dichloro-4-[(E)-(2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]methyl]benzonitrile

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