N-phenyl-4-[[(E)-3-phenylprop-2-enylidene]amino]aniline
Formula:C21H18N2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-phenyl-4-[[(E)-3-phenylprop-2-enylidene]amino]aniline is a drug-like molecule.
| MolName | N-phenyl-4-[[(E)-3-phenylprop-2-enylidene]amino]aniline |
| MolecularFormula | C21H18N2 |
| Smiles | C(/C=N/c(cc1)ccc1Nc1ccccc1)=C/c1ccccc1 |
| InChI | InChI=1S/C21H18N2/c1-3-8-18(9-4-1)10-7-17-22-19-13-15-21(16-14-19)23-20-11-5-2-6-12-20/h1-17,23H |
| InChIK | HHWBLLRMRCKFCJ-UHFFFAOYSA-N |
| TotalMolweight | 298.388 |
| Molweight | 298.388 |
| MonoisotopicMass | 298.146998 |
| CLogP | 4.5821 |
| CLogS | -5.028 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 255.5 |
| Relative PSA | 0.089902 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | 0.12356 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.73913 |
| 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 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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