(Z)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1-pyridin-2-ylmethanimine
Formula:C15H18N5
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1-pyridin-2-ylmethanimine is a drug-like molecule.
| MolName | (Z)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1-pyridin-2-ylmethanimine |
| MolecularFormula | C15H18N5 |
| Smiles | C(CN(CC1)/N=C\c2ncccc2)N1c1[nH+]cccc1 |
| InChI | InChI=1S/C15H17N5/c1-3-7-16-14(5-1)13-18-20-11-9-19(10-12-20)15-6-2-4-8-17-15/h1-8,13H,9-12H2/p+1 |
| InChIK | ADATUEGSQQGPNP-UHFFFAOYSA-O |
| TotalMolweight | 268.343 |
| Molweight | 268.343 |
| MonoisotopicMass | 268.15622 |
| CLogP | -0.4781 |
| CLogS | -2.137 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 206.47 |
| Relative PSA | 0.14327 |
| PolarSurfaceArea | 45.87 |
| Druglikeness | 6.4349 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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