4-amino-3,5,6-trichloro-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide
Formula:C13H7N4OCl5
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
4-amino-3,5,6-trichloro-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide is a drug-like molecule.
| MolName | 4-amino-3,5,6-trichloro-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide |
| MolecularFormula | C13H7N4OCl5 |
| Smiles | Nc(c(Cl)c(C(N/N=C\c(cc1)cc(Cl)c1Cl)=O)nc1Cl)c1Cl |
| InChI | InChI=1S/C13H7Cl5N4O/c14-6-2-1-5(3-7(6)15)4-20-22-13(23)11-8(16)10(19)9(17)12(18)21-11/h1-4H,(H2,19,21)(H,22,23) |
| InChIK | IMZSDIFWVOYVLA-UHFFFAOYSA-N |
| TotalMolweight | 412.491 |
| Molweight | 412.491 |
| MonoisotopicMass | 409.906246 |
| CLogP | 4.7048 |
| CLogS | -6.469 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 271.37 |
| Relative PSA | 0.22939 |
| PolarSurfaceArea | 80.37 |
| Druglikeness | 4.4006 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-amino-3,5,6-trichloro-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide | 2 - 4-amino-3,5,6-trichloro-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]pyridine-2-carboxamide
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