(E)-benzyl-[[(E)-[benzyl(oxido)azaniumylidene]amino]oxymethoxyimino]-oxidoazanium
Formula:C15H16N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-benzyl-[[(E)-[benzyl(oxido)azaniumylidene]amino]oxymethoxyimino]-oxidoazanium is a drug-like molecule.
| MolName | (E)-benzyl-[[(E)-[benzyl(oxido)azaniumylidene]amino]oxymethoxyimino]-oxidoazanium |
| MolecularFormula | C15H16N4O4 |
| Smiles | [O-]/[N+](/Cc1ccccc1)=N/OCO/N=[N+](\Cc1ccccc1)/[O-] |
| InChI | InChI=1S/C15H16N4O4/c20-18(11-14-7-3-1-4-8-14)16-22-13-23-17-19(21)12-15-9-5-2-6-10-15/h1-10H,11-13H2 |
| InChIK | HJLKJXOEXNBJME-UHFFFAOYSA-N |
| TotalMolweight | 316.316 |
| Molweight | 316.316 |
| MonoisotopicMass | 316.117156 |
| CLogP | 3.859 |
| CLogS | -4.421 |
| H Acceptors | 8 |
| TotalSurfaceArea | 252.08 |
| Relative PSA | 0.30855 |
| PolarSurfaceArea | 100.68 |
| Druglikeness | -4.7608 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 13 |
| AcidicOxygens | 2 |
| StereoCon |
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