(2Z)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxyimino]-N-(4-nitrophenyl)acetamide

Formula:C17H14N4O8 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2Z)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxyimino]-N-(4-nitrophenyl)acetamide is not a drug-like molecule.

MolName	(2Z)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxyimino]-N-(4-nitrophenyl)acetamide
MolecularFormula	C17H14N4O8
Smiles	[O-][N+](c(cc1)ccc1NC(/C=N\OCc1cc([N+]([O-])=O)cc2c1OCOC2)=O)=O
InChI	InChI=1S/C17H14N4O8/c22-16(19-13-1-3-14(4-2-13)20(23)24)7-18-29-9-12-6-15(21(25)26)5-11-8-27-10-28-17(11)12/h1-7H,8-10H2,(H,19,22)
InChIK	ICWWRGJPGYOCPV-UHFFFAOYSA-N
TotalMolweight	402.318
Molweight	402.318
MonoisotopicMass	402.081166
CLogP	0.1188
CLogS	-4.993
H Acceptors	12
H Donors	1
TotalSurfaceArea	292.11
Relative PSA	0.43425
PolarSurfaceArea	160.79
Druglikeness	-3.3083
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	2
Amides	1
AcidicOxygens	2
StereoCon

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