N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-pyridin-2-yloxamide
Formula:C15H12N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-pyridin-2-yloxamide is a drug-like molecule.
| MolName | N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-pyridin-2-yloxamide |
| MolecularFormula | C15H12N4O4 |
| Smiles | O=C(C(N/N=C\c(cc1)cc2c1OCO2)=O)Nc1ncccc1 |
| InChI | InChI=1S/C15H12N4O4/c20-14(18-13-3-1-2-6-16-13)15(21)19-17-8-10-4-5-11-12(7-10)23-9-22-11/h1-8H,9H2,(H,19,21)(H,16,18,20) |
| InChIK | OXCKAXLAYOZAGF-UHFFFAOYSA-N |
| TotalMolweight | 312.284 |
| Molweight | 312.284 |
| MonoisotopicMass | 312.085856 |
| CLogP | 1.6058 |
| CLogS | -3.966 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 235.22 |
| Relative PSA | 0.38891 |
| PolarSurfaceArea | 101.91 |
| Druglikeness | 3.5702 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-pyridin-2-yloxamide | 2 - N'-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]-N-pyridin-2-yloxamide
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