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

Formula:C11H12N6O3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxy-N-phenylacetamide is a drug-like molecule.

MolName2-[(E)-[amino-(4-amino-1,2,5-oxadiazol-3-yl)methylidene]amino]oxy-N-phenylacetamide
MolecularFormulaC11H12N6O3
SmilesN/C(/c1nonc1N)=N/OCC(Nc1ccccc1)=O
InChIInChI=1S/C11H12N6O3/c12-10(9-11(13)17-20-15-9)16-19-6-8(18)14-7-4-2-1-3-5-7/h1-5H,6H2,(H2,12,16)(H2,13,17)(H,14,18)
InChIKJPBODBVQDQEFTC-UHFFFAOYSA-N
TotalMolweight276.255
Molweight276.255
MonoisotopicMass276.097089
CLogP0.6034
CLogS-2.226
H Acceptors9
H Donors3
TotalSurfaceArea213.21
Relative PSA0.52812
PolarSurfaceArea141.65
Druglikeness2.7424
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.65
Fragments1
Non HAtoms20
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond5
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms11
Sp3Atoms2
Symmetricatoms2
Amides1
Aromatic Nitrogens2
StereoCon

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