N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-2-(4-iodophenoxy)acetamide

Formula:C13H9N2O3Br2I Mutagenic:high Tumorigenic:none Reproductive Effective:low N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-2-(4-iodophenoxy)acetamide is not a drug-like molecule.

MolName	N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]-2-(4-iodophenoxy)acetamide
MolecularFormula	C13H9N2O3Br2I
Smiles	O=C(COc(cc1)ccc1I)N/N=C\c(o1)cc(Br)c1Br
InChI	InChI=1S/C13H9Br2IN2O3/c14-11-5-10(21-13(11)15)6-17-18-12(19)7-20-9-3-1-8(16)2-4-9/h1-6H,7H2,(H,18,19)
InChIK	YSLXDPPEHCFKBB-UHFFFAOYSA-N
TotalMolweight	527.933
Molweight	527.933
MonoisotopicMass	525.802463
CLogP	3.9501
CLogS	-5.63
H Acceptors	5
H Donors	1
TotalSurfaceArea	263.98
Relative PSA	0.22774
PolarSurfaceArea	63.83
Druglikeness	-0.50847
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	1,2-dihalo-alkene; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.71429
Fragments	1
Non HAtoms	21
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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