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

Formula:C18H16N6O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none N,N'-bis[(Z)-(3-nitrophenyl)methylideneamino]butanediamide is not a drug-like molecule.

MolName	N,N'-bis[(Z)-(3-nitrophenyl)methylideneamino]butanediamide
MolecularFormula	C18H16N6O6
Smiles	[O-][N+](c1cccc(/C=N\NC(CCC(N/N=C\c2cccc([N+]([O-])=O)c2)=O)=O)c1)=O
InChI	InChI=1S/C18H16N6O6/c25-17(21-19-11-13-3-1-5-15(9-13)23(27)28)7-8-18(26)22-20-12-14-4-2-6-16(10-14)24(29)30/h1-6,9-12H,7-8H2,(H,21,25)(H,22,26)
InChIK	AETPYYRISBLCBQ-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	0.66667
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	15
AcidicOxygens	2
StereoCon

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