N-benzyl-N-[(Z)-pyridin-4-ylmethylideneamino]aniline
Formula:C19H17N3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-N-[(Z)-pyridin-4-ylmethylideneamino]aniline is a drug-like molecule.
| MolName | N-benzyl-N-[(Z)-pyridin-4-ylmethylideneamino]aniline |
| MolecularFormula | C19H17N3 |
| Smiles | C(c1ccccc1)N(c1ccccc1)/N=C\c1ccncc1 |
| InChI | InChI=1S/C19H17N3/c1-3-7-18(8-4-1)16-22(19-9-5-2-6-10-19)21-15-17-11-13-20-14-12-17/h1-15H,16H2 |
| InChIK | IGLLZRSXKVWXEV-UHFFFAOYSA-N |
| TotalMolweight | 287.365 |
| Molweight | 287.365 |
| MonoisotopicMass | 287.142247 |
| CLogP | 3.9709 |
| CLogS | -3.507 |
| H Acceptors | 3 |
| TotalSurfaceArea | 240.36 |
| Relative PSA | 0.1083 |
| PolarSurfaceArea | 28.49 |
| Druglikeness | 4.0784 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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