(E)-2-hydroxy-2-(oxan-4-yloxy)ethenediazonium
Formula:C7H11N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-hydroxy-2-(oxan-4-yloxy)ethenediazonium is a drug-like molecule.
| MolName | (E)-2-hydroxy-2-(oxan-4-yloxy)ethenediazonium |
| MolecularFormula | C7H11N2O3 |
| Smiles | N#[N+]/C=C(\O)/OC1CCOCC1 |
| InChI | InChI=1S/C7H10N2O3/c8-9-5-7(10)12-6-1-3-11-4-2-6/h5-6H,1-4H2/p+1 |
| InChIK | YDWUKWCUOJKCJG-UHFFFAOYSA-O |
| TotalMolweight | 171.175 |
| Molweight | 171.175 |
| MonoisotopicMass | 171.076968 |
| CLogP | -0.219 |
| CLogS | -2.556 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 143.17 |
| Relative PSA | 0.44995 |
| PolarSurfaceArea | 66.84 |
| Druglikeness | -6.1796 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| StereoCon |
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