N'-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-(4-fluorophenyl)oxamide
Formula:C17H14N3O4F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-(4-fluorophenyl)oxamide is a drug-like molecule.
| MolName | N'-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-(4-fluorophenyl)oxamide |
| MolecularFormula | C17H14N3O4F |
| Smiles | O=C(C(N/N=C\c(cc1)cc2c1OCCO2)=O)Nc(cc1)ccc1F |
| InChI | InChI=1S/C17H14FN3O4/c18-12-2-4-13(5-3-12)20-16(22)17(23)21-19-10-11-1-6-14-15(9-11)25-8-7-24-14/h1-6,9-10H,7-8H2,(H,20,22)(H,21,23) |
| InChIK | FMLRVQUTWXXTLO-UHFFFAOYSA-N |
| TotalMolweight | 343.313 |
| Molweight | 343.313 |
| MonoisotopicMass | 343.096835 |
| CLogP | 2.2235 |
| CLogS | -4.021 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 256.57 |
| Relative PSA | 0.31379 |
| PolarSurfaceArea | 89.02 |
| Druglikeness | -4.8364 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - N'-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-(4-fluorophenyl)oxamide | 2 - N'-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-N-(4-fluorophenyl)oxamide
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