2,6-dichloro-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]pyridine-4-carboxamide
Formula:C13H7N3OCl4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2,6-dichloro-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | 2,6-dichloro-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]pyridine-4-carboxamide |
| MolecularFormula | C13H7N3OCl4 |
| Smiles | O=C(c1cc(Cl)nc(Cl)c1)N/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C13H7Cl4N3O/c14-9-2-1-7(3-10(9)15)6-18-20-13(21)8-4-11(16)19-12(17)5-8/h1-6H,(H,20,21) |
| InChIK | MXXCHXMFNKFTJA-UHFFFAOYSA-N |
| TotalMolweight | 363.031 |
| Molweight | 363.031 |
| MonoisotopicMass | 360.93432 |
| CLogP | 4.8195 |
| CLogS | -5.396 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 247.43 |
| Relative PSA | 0.18987 |
| 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 | 0.61905 |
| 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 - 2,6-dichloro-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]pyridine-4-carboxamide | 2 - 2,6-dichloro-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]pyridine-4-carboxamide
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