(3R)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Formula:C16H12N2O3F2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3R)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | (3R)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide |
| MolecularFormula | C16H12N2O3F2 |
| Smiles | O=C([C@@H]1Oc(cccc2)c2OC1)N/N=C\c(c(F)ccc1)c1F |
| InChI | InChI=1S/C16H12F2N2O3/c17-11-4-3-5-12(18)10(11)8-19-20-16(21)15-9-22-13-6-1-2-7-14(13)23-15/h1-8,15H,9H2,(H,20,21)/t15-/m1/s1 |
| InChIK | ORHHZHOTAIVNFV-OAHLLOKOSA-N |
| TotalMolweight | 318.278 |
| Molweight | 318.278 |
| MonoisotopicMass | 318.081599 |
| CLogP | 2.9453 |
| CLogS | -4.371 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 232.45 |
| Relative PSA | 0.24096 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 3.5806 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| StereoCon | this enantiomer |
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1 - (3R)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide | 2 - (3R)-N-[(Z)-(2,6-difluorophenyl)methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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