(Z)-1-(3-phenoxyphenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine
Formula:C22H23N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(3-phenoxyphenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine is a drug-like molecule.
| MolName | (Z)-1-(3-phenoxyphenyl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine |
| MolecularFormula | C22H23N4O |
| Smiles | C(CN(CC1)/N=C\c2cccc(Oc3ccccc3)c2)N1c1[nH+]cccc1 |
| InChI | InChI=1S/C22H22N4O/c1-2-8-20(9-3-1)27-21-10-6-7-19(17-21)18-24-26-15-13-25(14-16-26)22-11-4-5-12-23-22/h1-12,17-18H,13-16H2/p+1 |
| InChIK | MSVHRGQKHWUQIK-UHFFFAOYSA-O |
| TotalMolweight | 359.452 |
| Molweight | 359.452 |
| MonoisotopicMass | 359.187186 |
| CLogP | 1.8644 |
| CLogS | -5.205 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 277.47 |
| Relative PSA | 0.10311 |
| PolarSurfaceArea | 42.21 |
| Druglikeness | 6.0872 |
| 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 | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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