1-nitro-N'-(4-nitroanilino)-N-(4-nitrophenyl)imino-N-oxido-N-oxomethanimidamide

Formula:C13H9N7O6 Mutagenic:low Tumorigenic:low Reproductive Effective:none 1-nitro-N'-(4-nitroanilino)-N-(4-nitrophenyl)imino-N-oxido-N-oxomethanimidamide is not a drug-like molecule.

MolName	1-nitro-N'-(4-nitroanilino)-N-(4-nitrophenyl)imino-N-oxido-N-oxomethanimidamide
MolecularFormula	C13H9N7O6
Smiles	[O-][N+](/C(/N=N/c(cc1)ccc1[N+]([O-])=O)=N\Nc(cc1)ccc1[N+]([O-])=O)=O
InChI	InChI=1S/C13H9N7O6/c21-18(22)11-5-1-9(2-6-11)14-16-13(20(25)26)17-15-10-3-7-12(8-4-10)19(23)24/h1-8,14H
InChIK	UJQSNHGUOUEVPP-UHFFFAOYSA-N
TotalMolweight	359.257
Molweight	359.257
MonoisotopicMass	359.061433
CLogP	2.4383
CLogS	-5.322
H Acceptors	13
H Donors	1
TotalSurfaceArea	261.48
Relative PSA	0.5249
PolarSurfaceArea	186.57
Druglikeness	-8.9302
Mutagenic	low
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; azo
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
AcidicOxygens	3
StereoCon

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