N-[(E)-2-phenyl-3-phenyliminoprop-1-enyl]aniline
Formula:C21H18N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-2-phenyl-3-phenyliminoprop-1-enyl]aniline is a drug-like molecule.
| MolName | N-[(E)-2-phenyl-3-phenyliminoprop-1-enyl]aniline |
| MolecularFormula | C21H18N2 |
| Smiles | C(/C(/c1ccccc1)=C/Nc1ccccc1)=N/c1ccccc1 |
| InChI | InChI=1S/C21H18N2/c1-4-10-18(11-5-1)19(16-22-20-12-6-2-7-13-20)17-23-21-14-8-3-9-15-21/h1-17,22H |
| InChIK | BOORVYHOLINGKK-UHFFFAOYSA-N |
| TotalMolweight | 298.388 |
| Molweight | 298.388 |
| MonoisotopicMass | 298.146998 |
| CLogP | 3.5592 |
| CLogS | -4.353 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 253.71 |
| Relative PSA | 0.090536 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | 0.51884 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| StereoCon |
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