N-phenyl-N-[(Z)-pyridin-4-ylmethylideneamino]aniline
Formula:C18H15N3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-phenyl-N-[(Z)-pyridin-4-ylmethylideneamino]aniline is a drug-like molecule.
| MolName | N-phenyl-N-[(Z)-pyridin-4-ylmethylideneamino]aniline |
| MolecularFormula | C18H15N3 |
| Smiles | C(c1ccncc1)=N\N(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C18H15N3/c1-3-7-17(8-4-1)21(18-9-5-2-6-10-18)20-15-16-11-13-19-14-12-16/h1-15H |
| InChIK | VTWLESHUHJMILD-UHFFFAOYSA-N |
| TotalMolweight | 273.338 |
| Molweight | 273.338 |
| MonoisotopicMass | 273.126597 |
| CLogP | 4.2279 |
| CLogS | -4.931 |
| H Acceptors | 3 |
| TotalSurfaceArea | 226.6 |
| Relative PSA | 0.11487 |
| PolarSurfaceArea | 28.49 |
| Druglikeness | 3.4029 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.52381 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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