N,N'-bis[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]hexanediamide

Formula:C28H24N6O8 Mutagenic:high Tumorigenic:high Reproductive Effective:none N,N'-bis[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]hexanediamide is not a drug-like molecule.

MolName	N,N'-bis[(Z)-[5-(2-nitrophenyl)furan-2-yl]methylideneamino]hexanediamide
MolecularFormula	C28H24N6O8
Smiles	[O-][N+](c(cccc1)c1-c1ccc(/C=N\NC(CCCCC(N/N=C\c2ccc(-c(cccc3)c3[N+]([O-])=O)o2)=O)=O)o1)=O
InChI	InChI=1S/C28H24N6O8/c35-27(31-29-17-19-13-15-25(41-19)21-7-1-3-9-23(21)33(37)38)11-5-6-12-28(36)32-30-18-20-14-16-26(42-20)22-8-2-4-10-24(22)34(39)40/h1-4,7-10,13-18H,5-6,11-12H2,(H,31,35)(H,32,36)
InChIK	NXVHYYBIIAVTGZ-UHFFFAOYSA-N
TotalMolweight	572.533
Molweight	572.533
MonoisotopicMass	572.165564
CLogP	4.3906
CLogS	-9.038
H Acceptors	14
H Donors	2
TotalSurfaceArea	442.24
Relative PSA	0.36424
PolarSurfaceArea	200.84
Druglikeness	-7.0556
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.61905
Fragments	1
Non HAtoms	42
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	13
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	22
Sp3Atoms	6
Symmetricatoms	21
AcidicOxygens	2
StereoCon

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