(Z)-1-(3-phenylmethoxyphenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine
Formula:C23H25N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(3-phenylmethoxyphenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine is a drug-like molecule.
| MolName | (Z)-1-(3-phenylmethoxyphenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine |
| MolecularFormula | C23H25N4O |
| Smiles | C(c1ccccc1)Oc1cc(/C=N\N(CC2)CCN2c2[nH+]cccc2)ccc1 |
| InChI | InChI=1S/C23H24N4O/c1-2-7-20(8-3-1)19-28-22-10-6-9-21(17-22)18-25-27-15-13-26(14-16-27)23-11-4-5-12-24-23/h1-12,17-18H,13-16,19H2/p+1 |
| InChIK | YBWSOZFLRHWWGC-UHFFFAOYSA-O |
| TotalMolweight | 373.479 |
| Molweight | 373.479 |
| MonoisotopicMass | 373.202836 |
| CLogP | 1.8169 |
| CLogS | -4.249 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 291.23 |
| Relative PSA | 0.098239 |
| PolarSurfaceArea | 42.21 |
| Druglikeness | 5.7341 |
| 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 | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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