N-[(Z)-benzylideneamino]-2,6-dichloropyridine-4-carboxamide
Formula:C13H9N3OCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-benzylideneamino]-2,6-dichloropyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-2,6-dichloropyridine-4-carboxamide |
| MolecularFormula | C13H9N3OCl2 |
| Smiles | O=C(c1cc(Cl)nc(Cl)c1)N/N=C\c1ccccc1 |
| InChI | InChI=1S/C13H9Cl2N3O/c14-11-6-10(7-12(15)17-11)13(19)18-16-8-9-4-2-1-3-5-9/h1-8H,(H,18,19) |
| InChIK | WYNSVQJJKMRJOZ-UHFFFAOYSA-N |
| TotalMolweight | 294.14 |
| Molweight | 294.14 |
| MonoisotopicMass | 293.012266 |
| CLogP | 3.6075 |
| CLogS | -3.924 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 216.59 |
| Relative PSA | 0.21691 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 4.4715 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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