N,N'-bis[(Z)-(2-nitrophenyl)methylideneamino]octanediamide

Formula:C22H24N6O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none N,N'-bis[(Z)-(2-nitrophenyl)methylideneamino]octanediamide is not a drug-like molecule.

MolName	N,N'-bis[(Z)-(2-nitrophenyl)methylideneamino]octanediamide
MolecularFormula	C22H24N6O6
Smiles	[O-][N+](c1c(/C=N\NC(CCCCCCC(N/N=C\c(cccc2)c2[N+]([O-])=O)=O)=O)cccc1)=O
InChI	InChI=1S/C22H24N6O6/c29-21(25-23-15-17-9-5-7-11-19(17)27(31)32)13-3-1-2-4-14-22(30)26-24-16-18-10-6-8-12-20(18)28(33)34/h5-12,15-16H,1-4,13-14H2,(H,25,29)(H,26,30)
InChIK	FOXWVENDRHUENW-UHFFFAOYSA-N
TotalMolweight	468.469
Molweight	468.469
MonoisotopicMass	468.175734
CLogP	3.4216
CLogS	-6.658
H Acceptors	12
H Donors	2
TotalSurfaceArea	370.86
Relative PSA	0.35825
PolarSurfaceArea	174.56
Druglikeness	-9.2744
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.64706
Fragments	1
Non HAtoms	34
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	13
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	17
AcidicOxygens	2
StereoCon

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