4-bromo-N-[(E)-(2,6-dichloropyridin-4-yl)methylideneamino]aniline
Formula:C12H8N3BrCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-bromo-N-[(E)-(2,6-dichloropyridin-4-yl)methylideneamino]aniline is not a drug-like molecule.
| MolName | 4-bromo-N-[(E)-(2,6-dichloropyridin-4-yl)methylideneamino]aniline |
| MolecularFormula | C12H8N3BrCl2 |
| Smiles | Clc1cc(/C=N/Nc(cc2)ccc2Br)cc(Cl)n1 |
| InChI | InChI=1S/C12H8BrCl2N3/c13-9-1-3-10(4-2-9)18-16-7-8-5-11(14)17-12(15)6-8/h1-7,18H |
| InChIK | JMWMZELLQWQVEN-UHFFFAOYSA-N |
| TotalMolweight | 345.027 |
| Molweight | 345.027 |
| MonoisotopicMass | 342.927862 |
| CLogP | 5.972 |
| CLogS | -4.186 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 217.47 |
| Relative PSA | 0.15607 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 0.59454 |
| 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 |
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1 - 4-bromo-N-[(E)-(2,6-dichloropyridin-4-yl)methylideneamino]aniline | 2 - 4-bromo-N-[(E)-(2,6-dichloropyridin-4-yl)methylideneamino]aniline
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