(E)-N-(4-benzhydrylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine
Formula:C31H31N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(4-benzhydrylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine is not a drug-like molecule.
| MolName | (E)-N-(4-benzhydrylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine |
| MolecularFormula | C31H31N3O |
| Smiles | C(c1ccccc1)Oc1ccc(/C=N/N(CC2)CCN2C(c2ccccc2)c2ccccc2)cc1 |
| InChI | InChI=1S/C31H31N3O/c1-4-10-27(11-5-1)25-35-30-18-16-26(17-19-30)24-32-34-22-20-33(21-23-34)31(28-12-6-2-7-13-28)29-14-8-3-9-15-29/h1-19,24,31H,20-23,25H2 |
| InChIK | JURPNTGWHCXWJW-UHFFFAOYSA-N |
| TotalMolweight | 461.607 |
| Molweight | 461.607 |
| MonoisotopicMass | 461.246712 |
| CLogP | 6.0829 |
| CLogS | -5.257 |
| H Acceptors | 4 |
| TotalSurfaceArea | 375.7 |
| Relative PSA | 0.076151 |
| PolarSurfaceArea | 28.07 |
| Druglikeness | 6.2543 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 9 |
| Symmetricatoms | 14 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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