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

Formula:C19H22N6O8 Mutagenic:high Tumorigenic:high Reproductive Effective:none N,N'-bis[(Z)-(5-nitrofuran-2-yl)methylideneamino]nonanediamide is not a drug-like molecule.

MolName	N,N'-bis[(Z)-(5-nitrofuran-2-yl)methylideneamino]nonanediamide
MolecularFormula	C19H22N6O8
Smiles	[O-][N+](c1ccc(/C=N\NC(CCCCCCCC(N/N=C\c2ccc([N+]([O-])=O)o2)=O)=O)o1)=O
InChI	InChI=1S/C19H22N6O8/c26-16(22-20-12-14-8-10-18(32-14)24(28)29)6-4-2-1-3-5-7-17(27)23-21-13-15-9-11-19(33-15)25(30)31/h8-13H,1-7H2,(H,22,26)(H,23,27)
InChIK	NUIVUCFCZIVLIF-UHFFFAOYSA-N
TotalMolweight	462.418
Molweight	462.418
MonoisotopicMass	462.149914
CLogP	2.9562
CLogS	-7.342
H Acceptors	14
H Donors	2
TotalSurfaceArea	364
Relative PSA	0.44253
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	0.75758
Fragments	1
Non HAtoms	33
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	14
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	9
Symmetricatoms	16
AcidicOxygens	2
StereoCon

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