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

Formula:C11H7N3O3BrI Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(4-bromo-5-iodofuran-2-yl)methylideneamino]-4-nitroaniline is a drug-like molecule.

MolName	N-[(Z)-(4-bromo-5-iodofuran-2-yl)methylideneamino]-4-nitroaniline
MolecularFormula	C11H7N3O3BrI
Smiles	[O-][N+](c(cc1)ccc1N/N=C\c(o1)cc(Br)c1I)=O
InChI	InChI=1S/C11H7BrIN3O3/c12-10-5-9(19-11(10)13)6-14-15-7-1-3-8(4-2-7)16(17)18/h1-6,15H
InChIK	RXRKGHAGACQWEY-UHFFFAOYSA-N
TotalMolweight	435.999
Molweight	435.999
MonoisotopicMass	434.871551
CLogP	4.3677
CLogS	-4.904
H Acceptors	6
H Donors	1
TotalSurfaceArea	227.51
Relative PSA	0.29669
PolarSurfaceArea	83.35
Druglikeness	-7.7587
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; 1,2-dihalo-alkene; imine/hydrazone of aldehyde
Shape Index	0.68421
Fragments	1
Non HAtoms	19
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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