N-[(Z)-pyridin-2-ylmethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
Formula:C15H13N3O3
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-pyridin-2-ylmethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-pyridin-2-ylmethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide |
| MolecularFormula | C15H13N3O3 |
| Smiles | O=C(C1Oc(cccc2)c2OC1)N/N=C\c1ncccc1 |
| InChI | InChI=1S/C15H13N3O3/c19-15(18-17-9-11-5-3-4-8-16-11)14-10-20-12-6-1-2-7-13(12)21-14/h1-9,14H,10H2,(H,18,19)/t14-/m0/s1 |
| InChIK | IEEDFLHSSWDALR-AWEZNQCLSA-N |
| TotalMolweight | 283.286 |
| Molweight | 283.286 |
| MonoisotopicMass | 283.095692 |
| CLogP | 1.7968 |
| CLogS | -2.972 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 218.51 |
| Relative PSA | 0.30653 |
| PolarSurfaceArea | 72.81 |
| Druglikeness | 4.9206 |
| Mutagenic | low |
| 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 | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
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1 - N-[(Z)-pyridin-2-ylmethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide | 2 - N-[(Z)-pyridin-2-ylmethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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