2,5-dichloro-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]pyridine-3-carboxamide
Formula:C13H7N3OCl4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2,5-dichloro-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | 2,5-dichloro-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C13H7N3OCl4 |
| Smiles | O=C(c1cc(Cl)cnc1Cl)N/N=C\c(c(Cl)ccc1)c1Cl |
| InChI | InChI=1S/C13H7Cl4N3O/c14-7-4-8(12(17)18-5-7)13(21)20-19-6-9-10(15)2-1-3-11(9)16/h1-6H,(H,20,21) |
| InChIK | MMKXCZZLZFZPGJ-UHFFFAOYSA-N |
| TotalMolweight | 363.031 |
| Molweight | 363.031 |
| MonoisotopicMass | 360.93432 |
| CLogP | 4.7221 |
| CLogS | -5.633 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 247.43 |
| Relative PSA | 0.18987 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 4.4715 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 2,5-dichloro-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]pyridine-3-carboxamide | 2 - 2,5-dichloro-N-[(Z)-(2,6-dichlorophenyl)methylideneamino]pyridine-3-carboxamide
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