(Z,E)-3-phenyl-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-imine
Formula:C18H21N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z,E)-3-phenyl-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-imine is a drug-like molecule.
| MolName | (Z,E)-3-phenyl-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)prop-2-en-1-imine |
| MolecularFormula | C18H21N4 |
| Smiles | C(CN(CC1)/N=C\C=C\c2ccccc2)N1c1[nH+]cccc1 |
| InChI | InChI=1S/C18H20N4/c1-2-7-17(8-3-1)9-6-12-20-22-15-13-21(14-16-22)18-10-4-5-11-19-18/h1-12H,13-16H2/p+1 |
| InChIK | DYJPBWZMZVMRSW-UHFFFAOYSA-O |
| TotalMolweight | 293.393 |
| Molweight | 293.393 |
| MonoisotopicMass | 293.176621 |
| CLogP | 0.4871 |
| CLogS | -3.2 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 234.21 |
| Relative PSA | 0.079459 |
| PolarSurfaceArea | 32.98 |
| Druglikeness | 6.2872 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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