N-[(E)-(2,6-dichloropyridin-4-yl)methylideneamino]-4-iodoaniline
Formula:C12H8N3Cl2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(2,6-dichloropyridin-4-yl)methylideneamino]-4-iodoaniline is not a drug-like molecule.
| MolName | N-[(E)-(2,6-dichloropyridin-4-yl)methylideneamino]-4-iodoaniline |
| MolecularFormula | C12H8N3Cl2I |
| Smiles | Clc1cc(/C=N/Nc(cc2)ccc2I)cc(Cl)n1 |
| InChI | InChI=1S/C12H8Cl2IN3/c13-11-5-8(6-12(14)17-11)7-16-18-10-3-1-9(15)2-4-10/h1-7,18H |
| InChIK | NDNJGQBKWONSAA-UHFFFAOYSA-N |
| TotalMolweight | 392.023 |
| Molweight | 392.023 |
| MonoisotopicMass | 390.913999 |
| CLogP | 5.6839 |
| CLogS | -4.368 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 225.12 |
| Relative PSA | 0.15076 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 2.9193 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-(2,6-dichloropyridin-4-yl)methylideneamino]-4-iodoaniline | 2 - N-[(E)-(2,6-dichloropyridin-4-yl)methylideneamino]-4-iodoaniline
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