(E)-1-(3-phenoxyphenyl)-N-(4-phenylpiperazin-1-yl)methanimine
Formula:C23H23N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(3-phenoxyphenyl)-N-(4-phenylpiperazin-1-yl)methanimine is a drug-like molecule.
| MolName | (E)-1-(3-phenoxyphenyl)-N-(4-phenylpiperazin-1-yl)methanimine |
| MolecularFormula | C23H23N3O |
| Smiles | C(CN(CC1)/N=C/c2cccc(Oc3ccccc3)c2)N1c1ccccc1 |
| InChI | InChI=1S/C23H23N3O/c1-3-9-21(10-4-1)25-14-16-26(17-15-25)24-19-20-8-7-13-23(18-20)27-22-11-5-2-6-12-22/h1-13,18-19H,14-17H2 |
| InChIK | MLSUNDNHXIOMTJ-UHFFFAOYSA-N |
| TotalMolweight | 357.456 |
| Molweight | 357.456 |
| MonoisotopicMass | 357.184112 |
| CLogP | 4.4917 |
| CLogS | -5.475 |
| H Acceptors | 4 |
| TotalSurfaceArea | 289.68 |
| Relative PSA | 0.098764 |
| PolarSurfaceArea | 28.07 |
| Druglikeness | 6.3314 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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