2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxy-N-(3-nitrophenyl)acetamide

Formula:C11H11N7O5 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxy-N-(3-nitrophenyl)acetamide is not a drug-like molecule.

MolName	2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxy-N-(3-nitrophenyl)acetamide
MolecularFormula	C11H11N7O5
Smiles	N/C(/c1nonc1N)=N/OCC(Nc1cccc([N+]([O-])=O)c1)=O
InChI	InChI=1S/C11H11N7O5/c12-10(9-11(13)17-23-15-9)16-22-5-8(19)14-6-2-1-3-7(4-6)18(20)21/h1-4H,5H2,(H2,12,16)(H2,13,17)(H,14,19)
InChIK	XXLVKDHAJJQCFZ-UHFFFAOYSA-N
TotalMolweight	321.252
Molweight	321.252
MonoisotopicMass	321.082168
CLogP	-0.3182
CLogS	-2.686
H Acceptors	12
H Donors	3
TotalSurfaceArea	236.88
Relative PSA	0.60377
PolarSurfaceArea	187.47
Druglikeness	-2.312
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	3
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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1 - 2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxy-N-(3-nitrophenyl)acetamide | 2 - 2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxy-N-(3-nitrophenyl)acetamide

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