(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(3-phenylmethoxyphenyl)methanimine
Formula:C25H28N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(3-phenylmethoxyphenyl)methanimine is a drug-like molecule.
| MolName | (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(3-phenylmethoxyphenyl)methanimine |
| MolecularFormula | C25H28N3O |
| Smiles | C(c1ccccc1)[NH+](CC1)CCN1/N=C\c1cccc(OCc2ccccc2)c1 |
| InChI | InChI=1S/C25H27N3O/c1-3-8-22(9-4-1)20-27-14-16-28(17-15-27)26-19-24-12-7-13-25(18-24)29-21-23-10-5-2-6-11-23/h1-13,18-19H,14-17,20-21H2/p+1 |
| InChIK | UYQWKMGQNAOQLV-UHFFFAOYSA-O |
| TotalMolweight | 386.517 |
| Molweight | 386.517 |
| MonoisotopicMass | 386.223237 |
| CLogP | 2.2574 |
| CLogS | -3.997 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 331.24 |
| Relative PSA | 0.12876 |
| PolarSurfaceArea | 29.27 |
| Druglikeness | 3.2605 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68966 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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