N-[(Z)-pyridin-3-ylmethylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide
Formula:C11H11N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-pyridin-3-ylmethylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-pyridin-3-ylmethylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide |
| MolecularFormula | C11H11N3O3 |
| Smiles | O=C(C1=COCCO1)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C11H11N3O3/c15-11(10-8-16-4-5-17-10)14-13-7-9-2-1-3-12-6-9/h1-3,6-8H,4-5H2,(H,14,15) |
| InChIK | JLPYNOSIVMRGAO-UHFFFAOYSA-N |
| TotalMolweight | 233.226 |
| Molweight | 233.226 |
| MonoisotopicMass | 233.080042 |
| CLogP | -0.0868 |
| CLogS | -2.076 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 184.72 |
| Relative PSA | 0.3626 |
| PolarSurfaceArea | 72.81 |
| Druglikeness | -2.7823 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-pyridin-3-ylmethylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide | 2 - N-[(Z)-pyridin-3-ylmethylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off