(E)-oxido-[2-[(E)-[oxido(phenyl)azaniumylidene]amino]oxyethoxyimino]-phenylazanium
Formula:C14H14N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-oxido-[2-[(E)-[oxido(phenyl)azaniumylidene]amino]oxyethoxyimino]-phenylazanium is a drug-like molecule.
| MolName | (E)-oxido-[2-[(E)-[oxido(phenyl)azaniumylidene]amino]oxyethoxyimino]-phenylazanium |
| MolecularFormula | C14H14N4O4 |
| Smiles | [O-]/[N+](/c1ccccc1)=N/OCCO/N=[N+](\c1ccccc1)/[O-] |
| InChI | InChI=1S/C14H14N4O4/c19-17(13-7-3-1-4-8-13)15-21-11-12-22-16-18(20)14-9-5-2-6-10-14/h1-10H,11-12H2 |
| InChIK | OYWBYMKRBXFSOK-UHFFFAOYSA-N |
| TotalMolweight | 302.289 |
| Molweight | 302.289 |
| MonoisotopicMass | 302.101506 |
| CLogP | 4.4012 |
| CLogS | -4.19 |
| H Acceptors | 8 |
| TotalSurfaceArea | 238.32 |
| Relative PSA | 0.32637 |
| PolarSurfaceArea | 100.68 |
| Druglikeness | -6.6747 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 13 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - (E)-oxido-[2-[(E)-[oxido(phenyl)azaniumylidene]amino]oxyethoxyimino]-phenylazanium | 2 - (E)-oxido-[2-[(E)-[oxido(phenyl)azaniumylidene]amino]oxyethoxyimino]-phenylazanium
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