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

Formula:C20H20N6O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]hexanediamide is not a drug-like molecule.

MolName	N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]hexanediamide
MolecularFormula	C20H20N6O6
Smiles	[O-][N+](c1ccc(/C=N\NC(CCCCC(N/N=C\c(cc2)ccc2[N+]([O-])=O)=O)=O)cc1)=O
InChI	InChI=1S/C20H20N6O6/c27-19(23-21-13-15-5-9-17(10-6-15)25(29)30)3-1-2-4-20(28)24-22-14-16-7-11-18(12-8-16)26(31)32/h5-14H,1-4H2,(H,23,27)(H,24,28)
InChIK	NYROKVKTVMZWOU-UHFFFAOYSA-N
TotalMolweight	440.415
Molweight	440.415
MonoisotopicMass	440.144434
CLogP	2.5128
CLogS	-6.118
H Acceptors	12
H Donors	2
TotalSurfaceArea	343.34
Relative PSA	0.38696
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	0.75
Fragments	1
Non HAtoms	32
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	11
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	18
AcidicOxygens	2
StereoCon

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