4-amino-3,5,6-trichloro-N-[(Z)-(2,6-difluorophenyl)methylideneamino]pyridine-2-carboxamide
Formula:C13H7N4OCl3F2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
4-amino-3,5,6-trichloro-N-[(Z)-(2,6-difluorophenyl)methylideneamino]pyridine-2-carboxamide is a drug-like molecule.
| MolName | 4-amino-3,5,6-trichloro-N-[(Z)-(2,6-difluorophenyl)methylideneamino]pyridine-2-carboxamide |
| MolecularFormula | C13H7N4OCl3F2 |
| Smiles | Nc(c(Cl)c(C(N/N=C\c(c(F)ccc1)c1F)=O)nc1Cl)c1Cl |
| InChI | InChI=1S/C13H7Cl3F2N4O/c14-8-10(19)9(15)12(16)21-11(8)13(23)22-20-4-5-6(17)2-1-3-7(5)18/h1-4H,(H2,19,21)(H,22,23) |
| InChIK | OKNHYRAUSZNCPI-UHFFFAOYSA-N |
| TotalMolweight | 379.581 |
| Molweight | 379.581 |
| MonoisotopicMass | 377.965348 |
| CLogP | 3.6944 |
| CLogS | -5.625 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 253.23 |
| Relative PSA | 0.24582 |
| PolarSurfaceArea | 80.37 |
| Druglikeness | 3.0606 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.56522 |
| 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 |
| Symmetricatoms | 3 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-amino-3,5,6-trichloro-N-[(Z)-(2,6-difluorophenyl)methylideneamino]pyridine-2-carboxamide | 2 - 4-amino-3,5,6-trichloro-N-[(Z)-(2,6-difluorophenyl)methylideneamino]pyridine-2-carboxamide
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