1-N,1-N'-bis[(Z)-(3-nitrophenyl)methylideneamino]cyclobutane-1,1-dicarboxamide

Formula:C20H18N6O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-N,1-N'-bis[(Z)-(3-nitrophenyl)methylideneamino]cyclobutane-1,1-dicarboxamide is not a drug-like molecule.

MolName	1-N,1-N'-bis[(Z)-(3-nitrophenyl)methylideneamino]cyclobutane-1,1-dicarboxamide
MolecularFormula	C20H18N6O6
Smiles	[O-][N+](c1cccc(/C=N\NC(C2(CCC2)C(N/N=C\c2cccc([N+]([O-])=O)c2)=O)=O)c1)=O
InChI	InChI=1S/C20H18N6O6/c27-18(23-21-12-14-4-1-6-16(10-14)25(29)30)20(8-3-9-20)19(28)24-22-13-15-5-2-7-17(11-15)26(31)32/h1-2,4-7,10-13H,3,8-9H2,(H,23,27)(H,24,28)
InChIK	PJFXAYAKHHBFDB-UHFFFAOYSA-N
TotalMolweight	438.399
Molweight	438.399
MonoisotopicMass	438.128784
CLogP	1.6868
CLogS	-6.001
H Acceptors	12
H Donors	2
TotalSurfaceArea	326.49
Relative PSA	0.40693
PolarSurfaceArea	174.56
Druglikeness	-0.78225
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	15
AcidicOxygens	2
StereoCon

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