N-[(Z)-benzylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
Formula:C16H14N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide |
| MolecularFormula | C16H14N2O3 |
| Smiles | O=C(c(cc1)cc2c1OCCO2)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C16H14N2O3/c19-16(18-17-11-12-4-2-1-3-5-12)13-6-7-14-15(10-13)21-9-8-20-14/h1-7,10-11H,8-9H2,(H,18,19) |
| InChIK | AFPPKWFTXTVDFN-UHFFFAOYSA-N |
| TotalMolweight | 282.298 |
| Molweight | 282.298 |
| MonoisotopicMass | 282.100443 |
| CLogP | 3.1804 |
| CLogS | -3.903 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 221.01 |
| Relative PSA | 0.25343 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | -2.8595 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - N-[(Z)-benzylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide | 2 - N-[(Z)-benzylideneamino]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
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