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

Formula:C13H9N2O3Br2Cl Mutagenic:high Tumorigenic:none Reproductive Effective:high 2-(4-chlorophenoxy)-N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]acetamide is a drug-like molecule.

MolName	2-(4-chlorophenoxy)-N-[(Z)-(4,5-dibromofuran-2-yl)methylideneamino]acetamide
MolecularFormula	C13H9N2O3Br2Cl
Smiles	O=C(COc(cc1)ccc1Cl)N/N=C\c(o1)cc(Br)c1Br
InChI	InChI=1S/C13H9Br2ClN2O3/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	BHGJLXNGMJAGAX-UHFFFAOYSA-N
TotalMolweight	436.486
Molweight	436.486
MonoisotopicMass	433.866842
CLogP	4.119
CLogS	-5.35
H Acceptors	5
H Donors	1
TotalSurfaceArea	253.12
Relative PSA	0.23752
PolarSurfaceArea	63.83
Druglikeness	-0.90016
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
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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