N-(2,3-dichlorophenyl)-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide
Formula:C14H10N4O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(2,3-dichlorophenyl)-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide is a drug-like molecule.
| MolName | N-(2,3-dichlorophenyl)-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide |
| MolecularFormula | C14H10N4O2Cl2 |
| Smiles | O=C(C(N/N=C\c1cnccc1)=O)Nc1cccc(Cl)c1Cl |
| InChI | InChI=1S/C14H10Cl2N4O2/c15-10-4-1-5-11(12(10)16)19-13(21)14(22)20-18-8-9-3-2-6-17-7-9/h1-8H,(H,19,21)(H,20,22) |
| InChIK | DYBVYXXTMAECIJ-UHFFFAOYSA-N |
| TotalMolweight | 337.165 |
| Molweight | 337.165 |
| MonoisotopicMass | 336.01808 |
| CLogP | 2.355 |
| CLogS | -4.202 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 245.8 |
| Relative PSA | 0.29081 |
| PolarSurfaceArea | 83.45 |
| Druglikeness | 3.76 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-(2,3-dichlorophenyl)-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide | 2 - N-(2,3-dichlorophenyl)-N'-[(Z)-pyridin-3-ylmethylideneamino]oxamide
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