N,N'-bis[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide

Formula:C19H18N6O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none N,N'-bis[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide is not a drug-like molecule.

MolName	N,N'-bis[(Z)-(3-nitrophenyl)methylideneamino]pentanediamide
MolecularFormula	C19H18N6O6
Smiles	[O-][N+](c1cccc(/C=N\NC(CCCC(N/N=C\c2cccc([N+]([O-])=O)c2)=O)=O)c1)=O
InChI	InChI=1S/C19H18N6O6/c26-18(22-20-12-14-4-1-6-16(10-14)24(28)29)8-3-9-19(27)23-21-13-15-5-2-7-17(11-15)25(30)31/h1-2,4-7,10-13H,3,8-9H2,(H,22,26)(H,23,27)
InChIK	SQNZMWWARSPCIZ-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	0.67742
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	15
AcidicOxygens	2
StereoCon

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