N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide
Formula:C13H12N2O4F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide |
| MolecularFormula | C13H12N2O4F2 |
| Smiles | O=C(C1=COCCO1)N/N=C\c(cc1)ccc1OC(F)F |
| InChI | InChI=1S/C13H12F2N2O4/c14-13(15)21-10-3-1-9(2-4-10)7-16-17-12(18)11-8-19-5-6-20-11/h1-4,7-8,13H,5-6H2,(H,17,18) |
| InChIK | FGQZVYQKQDJFSA-UHFFFAOYSA-N |
| TotalMolweight | 298.244 |
| Molweight | 298.244 |
| MonoisotopicMass | 298.076514 |
| CLogP | 1.0835 |
| CLogS | -3.493 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 221.16 |
| Relative PSA | 0.29847 |
| PolarSurfaceArea | 69.15 |
| Druglikeness | -5.574 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| StereoCon |
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1 - N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide | 2 - N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-2,3-dihydro-1,4-dioxine-5-carboxamide
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