N-[(Z)-[(2,6-dichloropyridin-4-yl)-phenylmethylidene]amino]aniline
Formula:C18H13N3Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[(2,6-dichloropyridin-4-yl)-phenylmethylidene]amino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-[(2,6-dichloropyridin-4-yl)-phenylmethylidene]amino]aniline |
| MolecularFormula | C18H13N3Cl2 |
| Smiles | Clc1cc(/C(/c2ccccc2)=N\Nc2ccccc2)cc(Cl)n1 |
| InChI | InChI=1S/C18H13Cl2N3/c19-16-11-14(12-17(20)21-16)18(13-7-3-1-4-8-13)23-22-15-9-5-2-6-10-15/h1-12,22H |
| InChIK | ZKCKLQKTJRPURN-UHFFFAOYSA-N |
| TotalMolweight | 342.228 |
| Molweight | 342.228 |
| MonoisotopicMass | 341.048651 |
| CLogP | 6.4435 |
| CLogS | -5.128 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 256.81 |
| Relative PSA | 0.13216 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 1.2961 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47826 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 7 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[(2,6-dichloropyridin-4-yl)-phenylmethylidene]amino]aniline | 2 - N-[(Z)-[(2,6-dichloropyridin-4-yl)-phenylmethylidene]amino]aniline
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