(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(3-phenoxyphenyl)methanimine
Formula:C24H26N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(3-phenoxyphenyl)methanimine is a drug-like molecule.
| MolName | (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(3-phenoxyphenyl)methanimine |
| MolecularFormula | C24H26N3O |
| Smiles | C(c1ccccc1)[NH+](CC1)CCN1/N=C\c1cccc(Oc2ccccc2)c1 |
| InChI | InChI=1S/C24H25N3O/c1-3-8-21(9-4-1)20-26-14-16-27(17-15-26)25-19-22-10-7-13-24(18-22)28-23-11-5-2-6-12-23/h1-13,18-19H,14-17,20H2/p+1 |
| InChIK | NACDIMVLKYHRRO-UHFFFAOYSA-O |
| TotalMolweight | 372.49 |
| Molweight | 372.49 |
| MonoisotopicMass | 372.207587 |
| CLogP | 2.3049 |
| CLogS | -4.953 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 317.48 |
| Relative PSA | 0.13434 |
| PolarSurfaceArea | 29.27 |
| Druglikeness | 3.5777 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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