N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]pentanediamide

Formula:C19H18N6O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]pentanediamide is not a drug-like molecule.

MolName	N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]pentanediamide
MolecularFormula	C19H18N6O6
Smiles	[O-][N+](c1ccc(/C=N\NC(CCCC(N/N=C\c(cc2)ccc2[N+]([O-])=O)=O)=O)cc1)=O
InChI	InChI=1S/C19H18N6O6/c26-18(22-20-12-14-4-8-16(9-5-14)24(28)29)2-1-3-19(27)23-21-13-15-6-10-17(11-7-15)25(30)31/h4-13H,1-3H2,(H,22,26)(H,23,27)
InChIK	AAXACTHSNRWYEX-UHFFFAOYSA-N
TotalMolweight	426.388
Molweight	426.388
MonoisotopicMass	426.128784
CLogP	2.0584
CLogS	-5.848
H Acceptors	12
H Donors	2
TotalSurfaceArea	329.58
Relative PSA	0.40312
PolarSurfaceArea	174.56
Druglikeness	-6.3944
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.74194
Fragments	1
Non HAtoms	31
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	10
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	5
Symmetricatoms	17
AcidicOxygens	2
StereoCon

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