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

Formula:C15H14N6O8 Mutagenic:high Tumorigenic:high Reproductive Effective:none N,N'-bis[(Z)-(5-nitrofuran-2-yl)methylideneamino]pentanediamide is not a drug-like molecule.

MolName	N,N'-bis[(Z)-(5-nitrofuran-2-yl)methylideneamino]pentanediamide
MolecularFormula	C15H14N6O8
Smiles	[O-][N+](c1ccc(/C=N\NC(CCCC(N/N=C\c2ccc([N+]([O-])=O)o2)=O)=O)o1)=O
InChI	InChI=1S/C15H14N6O8/c22-12(18-16-8-10-4-6-14(28-10)20(24)25)2-1-3-13(23)19-17-9-11-5-7-15(29-11)21(26)27/h4-9H,1-3H2,(H,18,22)(H,19,23)
InChIK	COBZZKIKRBOGJE-UHFFFAOYSA-N
TotalMolweight	406.31
Molweight	406.31
MonoisotopicMass	406.087314
CLogP	1.1386
CLogS	-6.262
H Acceptors	14
H Donors	2
TotalSurfaceArea	308.96
Relative PSA	0.52136
PolarSurfaceArea	200.84
Druglikeness	-2.5119
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.72414
Fragments	1
Non HAtoms	29
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	10
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	5
Symmetricatoms	14
AcidicOxygens	2
StereoCon

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