N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]aniline
Formula:C20H18N2O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]aniline is not a drug-like molecule.
| MolName | N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]aniline |
| MolecularFormula | C20H18N2O |
| Smiles | C(c1ccccc1)Oc1ccc(/C=N\Nc2ccccc2)cc1 |
| InChI | InChI=1S/C20H18N2O/c1-3-7-18(8-4-1)16-23-20-13-11-17(12-14-20)15-21-22-19-9-5-2-6-10-19/h1-15,22H,16H2 |
| InChIK | DYGUBAPLILGGBJ-UHFFFAOYSA-N |
| TotalMolweight | 302.376 |
| Molweight | 302.376 |
| MonoisotopicMass | 302.141913 |
| CLogP | 6.189 |
| CLogS | -4.49 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 252.76 |
| Relative PSA | 0.13044 |
| PolarSurfaceArea | 33.62 |
| Druglikeness | 1.6288 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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