4-amino-3,5,6-trichloro-N-[(Z)-(4-chlorophenyl)methylideneamino]pyridine-2-carboxamide
Formula:C13H8N4OCl4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
4-amino-3,5,6-trichloro-N-[(Z)-(4-chlorophenyl)methylideneamino]pyridine-2-carboxamide is a drug-like molecule.
| MolName | 4-amino-3,5,6-trichloro-N-[(Z)-(4-chlorophenyl)methylideneamino]pyridine-2-carboxamide |
| MolecularFormula | C13H8N4OCl4 |
| Smiles | Nc(c(Cl)c(C(N/N=C\c(cc1)ccc1Cl)=O)nc1Cl)c1Cl |
| InChI | InChI=1S/C13H8Cl4N4O/c14-7-3-1-6(2-4-7)5-19-21-13(22)11-8(15)10(18)9(16)12(17)20-11/h1-5H,(H2,18,20)(H,21,22) |
| InChIK | YECNDXKZNXQYPU-UHFFFAOYSA-N |
| TotalMolweight | 378.046 |
| Molweight | 378.046 |
| MonoisotopicMass | 375.945219 |
| CLogP | 4.0988 |
| CLogS | -5.733 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 255.95 |
| Relative PSA | 0.24321 |
| 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 | 0.63636 |
| 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 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 4-amino-3,5,6-trichloro-N-[(Z)-(4-chlorophenyl)methylideneamino]pyridine-2-carboxamide | 2 - 4-amino-3,5,6-trichloro-N-[(Z)-(4-chlorophenyl)methylideneamino]pyridine-2-carboxamide
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