(Z)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-1-(3-nitrophenyl)methanimine

Formula:C16H13N3O7 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-1-(3-nitrophenyl)methanimine is a drug-like molecule.

MolName	(Z)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-1-(3-nitrophenyl)methanimine
MolecularFormula	C16H13N3O7
Smiles	[O-][N+](c1cccc(/C=N\OCc2cc([N+]([O-])=O)cc3c2OCOC3)c1)=O
InChI	InChI=1S/C16H13N3O7/c20-18(21)14-3-1-2-11(4-14)7-17-26-9-13-6-15(19(22)23)5-12-8-24-10-25-16(12)13/h1-7H,8-10H2
InChIK	WFQCMSZLGPDULF-UHFFFAOYSA-N
TotalMolweight	359.293
Molweight	359.293
MonoisotopicMass	359.075352
CLogP	1.4874
CLogS	-5.267
H Acceptors	10
TotalSurfaceArea	262.9
Relative PSA	0.38931
PolarSurfaceArea	131.69
Druglikeness	-5.2316
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
AcidicOxygens	2
StereoCon

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1 - (Z)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-1-(3-nitrophenyl)methanimine | 2 - (Z)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methoxy]-1-(3-nitrophenyl)methanimine

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