N-benzyl-N-[(Z)-(3-phenoxyphenyl)methylideneamino]aniline
Formula:C26H22N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-benzyl-N-[(Z)-(3-phenoxyphenyl)methylideneamino]aniline is not a drug-like molecule.
| MolName | N-benzyl-N-[(Z)-(3-phenoxyphenyl)methylideneamino]aniline |
| MolecularFormula | C26H22N2O |
| Smiles | C(c1ccccc1)N(c1ccccc1)/N=C\c1cccc(Oc2ccccc2)c1 |
| InChI | InChI=1S/C26H22N2O/c1-4-11-22(12-5-1)21-28(24-14-6-2-7-15-24)27-20-23-13-10-18-26(19-23)29-25-16-8-3-9-17-25/h1-20H,21H2 |
| InChIK | AIUFZFSCOVTZNY-UHFFFAOYSA-N |
| TotalMolweight | 378.474 |
| Molweight | 378.474 |
| MonoisotopicMass | 378.173213 |
| CLogP | 6.3674 |
| CLogS | -6.599 |
| H Acceptors | 3 |
| TotalSurfaceArea | 311.36 |
| Relative PSA | 0.080486 |
| PolarSurfaceArea | 24.83 |
| Druglikeness | 3.6873 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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