[(E)-[amino-(2,6-dichlorophenyl)methylidene]amino] 2,6-dichloropyridine-4-carboxylate
Formula:C13H7N3O2Cl4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-(2,6-dichlorophenyl)methylidene]amino] 2,6-dichloropyridine-4-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino-(2,6-dichlorophenyl)methylidene]amino] 2,6-dichloropyridine-4-carboxylate |
| MolecularFormula | C13H7N3O2Cl4 |
| Smiles | N/C(/c(c(Cl)ccc1)c1Cl)=N/OC(c1cc(Cl)nc(Cl)c1)=O |
| InChI | InChI=1S/C13H7Cl4N3O2/c14-7-2-1-3-8(15)11(7)12(18)20-22-13(21)6-4-9(16)19-10(17)5-6/h1-5H,(H2,18,20) |
| InChIK | GGIHANZFULJJGQ-UHFFFAOYSA-N |
| TotalMolweight | 379.03 |
| Molweight | 379.03 |
| MonoisotopicMass | 376.929235 |
| CLogP | 4.69 |
| CLogS | -5.211 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 252.7 |
| Relative PSA | 0.24056 |
| PolarSurfaceArea | 77.57 |
| Druglikeness | -2.6601 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino-(2,6-dichlorophenyl)methylidene]amino] 2,6-dichloropyridine-4-carboxylate | 2 - [(E)-[amino-(2,6-dichlorophenyl)methylidene]amino] 2,6-dichloropyridine-4-carboxylate
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