4-phenoxy-N-[(E)-3-(4-phenoxyphenyl)iminoprop-1-enyl]aniline
Formula:C27H22N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-phenoxy-N-[(E)-3-(4-phenoxyphenyl)iminoprop-1-enyl]aniline is not a drug-like molecule.
| MolName | 4-phenoxy-N-[(E)-3-(4-phenoxyphenyl)iminoprop-1-enyl]aniline |
| MolecularFormula | C27H22N2O2 |
| Smiles | C(/C=N/c(cc1)ccc1Oc1ccccc1)=C/Nc(cc1)ccc1Oc1ccccc1 |
| InChI | InChI=1S/C27H22N2O2/c1-3-8-24(9-4-1)30-26-16-12-22(13-17-26)28-20-7-21-29-23-14-18-27(19-15-23)31-25-10-5-2-6-11-25/h1-21,28H |
| InChIK | RKUPVTUQRHNILN-UHFFFAOYSA-N |
| TotalMolweight | 406.484 |
| Molweight | 406.484 |
| MonoisotopicMass | 406.168128 |
| CLogP | 5.0136 |
| CLogS | -7.99 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 335.26 |
| Relative PSA | 0.12817 |
| PolarSurfaceArea | 42.85 |
| Druglikeness | -0.038156 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.74194 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| StereoCon |
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