N-[(Z)-(4-bromo-5-iodofuran-2-yl)methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide

Formula:C13H9N3O4BrIS Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[(Z)-(4-bromo-5-iodofuran-2-yl)methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide is not a drug-like molecule.

MolName	N-[(Z)-(4-bromo-5-iodofuran-2-yl)methylideneamino]-2-(4-nitrophenyl)sulfanylacetamide
MolecularFormula	C13H9N3O4BrIS
Smiles	[O-][N+](c(cc1)ccc1SCC(N/N=C\c(o1)cc(Br)c1I)=O)=O
InChI	InChI=1S/C13H9BrIN3O4S/c14-11-5-9(22-13(11)15)6-16-17-12(19)7-23-10-3-1-8(2-4-10)18(20)21/h1-6H,7H2,(H,17,19)
InChIK	CHQHCUCBVYQNOO-UHFFFAOYSA-N
TotalMolweight	510.101
Molweight	510.101
MonoisotopicMass	508.854186
CLogP	2.9412
CLogS	-6.018
H Acceptors	7
H Donors	1
TotalSurfaceArea	276.51
Relative PSA	0.35453
PolarSurfaceArea	125.72
Druglikeness	-5.0932
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; 1,2-dihalo-alkene; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.69565
Fragments	1
Non HAtoms	23
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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