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

Formula:C17H14N6O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none N,N'-bis[(Z)-(3-nitrophenyl)methylideneamino]propanediamide is not a drug-like molecule.

MolName	N,N'-bis[(Z)-(3-nitrophenyl)methylideneamino]propanediamide
MolecularFormula	C17H14N6O6
Smiles	[O-][N+](c1cccc(/C=N\NC(CC(N/N=C\c2cccc([N+]([O-])=O)c2)=O)=O)c1)=O
InChI	InChI=1S/C17H14N6O6/c24-16(20-18-10-12-3-1-5-14(7-12)22(26)27)9-17(25)21-19-11-13-4-2-6-15(8-13)23(28)29/h1-8,10-11H,9H2,(H,20,24)(H,21,25)
InChIK	XDTOYZKNDROUSS-UHFFFAOYSA-N
TotalMolweight	398.334
Molweight	398.334
MonoisotopicMass	398.097484
CLogP	1.1496
CLogS	-5.308
H Acceptors	12
H Donors	2
TotalSurfaceArea	302.06
Relative PSA	0.43985
PolarSurfaceArea	174.56
Druglikeness	-3.6541
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	14
AcidicOxygens	2
StereoCon

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