N,N'-bis[(Z)-(5-nitrofuran-2-yl)methylideneamino]octanediamide

Formula:C18H20N6O8 Mutagenic:high Tumorigenic:high Reproductive Effective:none N,N'-bis[(Z)-(5-nitrofuran-2-yl)methylideneamino]octanediamide is not a drug-like molecule.

MolName	N,N'-bis[(Z)-(5-nitrofuran-2-yl)methylideneamino]octanediamide
MolecularFormula	C18H20N6O8
Smiles	[O-][N+](c1ccc(/C=N\NC(CCCCCCC(N/N=C\c2ccc([N+]([O-])=O)o2)=O)=O)o1)=O
InChI	InChI=1S/C18H20N6O8/c25-15(21-19-11-13-7-9-17(31-13)23(27)28)5-3-1-2-4-6-16(26)22-20-12-14-8-10-18(32-14)24(29)30/h7-12H,1-6H2,(H,21,25)(H,22,26)
InChIK	WNXMVSGYQSXPCQ-UHFFFAOYSA-N
TotalMolweight	448.391
Molweight	448.391
MonoisotopicMass	448.134264
CLogP	2.5018
CLogS	-7.072
H Acceptors	14
H Donors	2
TotalSurfaceArea	350.24
Relative PSA	0.45991
PolarSurfaceArea	200.84
Druglikeness	-5.3919
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.75
Fragments	1
Non HAtoms	32
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	13
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	8
Symmetricatoms	16
AcidicOxygens	2
StereoCon

Click to Load Molecule:

1 - N,N'-bis[(Z)-(5-nitrofuran-2-yl)methylideneamino]octanediamide | 2 - N,N'-bis[(Z)-(5-nitrofuran-2-yl)methylideneamino]octanediamide

Request More Details | N,N'-bis[(Z)-(5-nitrofuran-2-yl)methylideneamino]octanediamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments