2-(2-nitrophenoxy)-N-[(Z)-[(2Z)-2-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]ethylidene]amino]acetamide

Formula:C18H16N6O8 Mutagenic:none Tumorigenic:none Reproductive Effective:low 2-(2-nitrophenoxy)-N-[(Z)-[(2Z)-2-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]ethylidene]amino]acetamide is not a drug-like molecule.

MolName	2-(2-nitrophenoxy)-N-[(Z)-[(2Z)-2-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]ethylidene]amino]acetamide
MolecularFormula	C18H16N6O8
Smiles	[O-][N+](c(cccc1)c1OCC(N/N=C\C=N/NC(COc(cccc1)c1[N+]([O-])=O)=O)=O)=O
InChI	InChI=1S/C18H16N6O8/c25-17(11-31-15-7-3-1-5-13(15)23(27)28)21-19-9-10-20-22-18(26)12-32-16-8-4-2-6-14(16)24(29)30/h1-10H,11-12H2,(H,21,25)(H,22,26)
InChIK	AWJBOAUDKCDOKF-UHFFFAOYSA-N
TotalMolweight	444.359
Molweight	444.359
MonoisotopicMass	444.102964
CLogP	-0.7768
CLogS	-4.442
H Acceptors	14
H Donors	2
TotalSurfaceArea	335.82
Relative PSA	0.45518
PolarSurfaceArea	193.02
Druglikeness	-0.93238
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	11
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	16
AcidicOxygens	2
StereoCon

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1 - 2-(2-nitrophenoxy)-N-[(Z)-[(2Z)-2-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]ethylidene]amino]acetamide | 2 - 2-(2-nitrophenoxy)-N-[(Z)-[(2Z)-2-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]ethylidene]amino]acetamide

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