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

Formula:C18H16N6O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]butanediamide is not a drug-like molecule.

MolName	N,N'-bis[(Z)-(4-nitrophenyl)methylideneamino]butanediamide
MolecularFormula	C18H16N6O6
Smiles	[O-][N+](c1ccc(/C=N\NC(CCC(N/N=C\c(cc2)ccc2[N+]([O-])=O)=O)=O)cc1)=O
InChI	InChI=1S/C18H16N6O6/c25-17(21-19-11-13-1-5-15(6-2-13)23(27)28)9-10-18(26)22-20-12-14-3-7-16(8-4-14)24(29)30/h1-8,11-12H,9-10H2,(H,21,25)(H,22,26)
InChIK	WGUOLEXIMOHTAO-UHFFFAOYSA-N
TotalMolweight	412.361
Molweight	412.361
MonoisotopicMass	412.113134
CLogP	1.604
CLogS	-5.578
H Acceptors	12
H Donors	2
TotalSurfaceArea	315.82
Relative PSA	0.42068
PolarSurfaceArea	174.56
Druglikeness	-2.109
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.73333
Fragments	1
Non HAtoms	30
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	9
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	17
AcidicOxygens	2
StereoCon

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