4-amino-3,5,6-trichloro-N-[(Z)-(2-fluorophenyl)methylideneamino]pyridine-2-carboxamide
Formula:C13H8N4OCl3F
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
4-amino-3,5,6-trichloro-N-[(Z)-(2-fluorophenyl)methylideneamino]pyridine-2-carboxamide is a drug-like molecule.
| MolName | 4-amino-3,5,6-trichloro-N-[(Z)-(2-fluorophenyl)methylideneamino]pyridine-2-carboxamide |
| MolecularFormula | C13H8N4OCl3F |
| Smiles | Nc(c(Cl)c(C(N/N=C\c(cccc1)c1F)=O)nc1Cl)c1Cl |
| InChI | InChI=1S/C13H8Cl3FN4O/c14-8-10(18)9(15)12(16)20-11(8)13(22)21-19-5-6-3-1-2-4-7(6)17/h1-5H,(H2,18,20)(H,21,22) |
| InChIK | GUJCPLNIILDZQS-UHFFFAOYSA-N |
| TotalMolweight | 361.591 |
| Molweight | 361.591 |
| MonoisotopicMass | 359.97477 |
| CLogP | 3.5936 |
| CLogS | -5.311 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 246.88 |
| Relative PSA | 0.25215 |
| 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 | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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)-(2-fluorophenyl)methylideneamino]pyridine-2-carboxamide | 2 - 4-amino-3,5,6-trichloro-N-[(Z)-(2-fluorophenyl)methylideneamino]pyridine-2-carboxamide
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