(E)-N-(2,4-dinitrophenoxy)oxan-3-imine
Formula:C11H11N3O6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(2,4-dinitrophenoxy)oxan-3-imine is a drug-like molecule.
| MolName | (E)-N-(2,4-dinitrophenoxy)oxan-3-imine |
| MolecularFormula | C11H11N3O6 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1O/N=C1/COCCC1)=O |
| InChI | InChI=1S/C11H11N3O6/c15-13(16)9-3-4-11(10(6-9)14(17)18)20-12-8-2-1-5-19-7-8/h3-4,6H,1-2,5,7H2 |
| InChIK | HLYVKFONCBLMQX-UHFFFAOYSA-N |
| TotalMolweight | 281.223 |
| Molweight | 281.223 |
| MonoisotopicMass | 281.064787 |
| CLogP | 0.4402 |
| CLogS | -4.278 |
| H Acceptors | 9 |
| TotalSurfaceArea | 205.11 |
| Relative PSA | 0.45025 |
| PolarSurfaceArea | 122.46 |
| Druglikeness | -11.47 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-(2,4-dinitrophenoxy)oxan-3-imine | 2 - (E)-N-(2,4-dinitrophenoxy)oxan-3-imine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off