(Z)-1-naphthalen-1-yl-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine
Formula:C20H21N4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(Z)-1-naphthalen-1-yl-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine is a drug-like molecule.
| MolName | (Z)-1-naphthalen-1-yl-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine |
| MolecularFormula | C20H21N4 |
| Smiles | C(CN(CC1)/N=C\c2cccc3ccccc23)N1c1[nH+]cccc1 |
| InChI | InChI=1S/C20H20N4/c1-2-9-19-17(6-1)7-5-8-18(19)16-22-24-14-12-23(13-15-24)20-10-3-4-11-21-20/h1-11,16H,12-15H2/p+1 |
| InChIK | FJOQIFPIIVOWOU-UHFFFAOYSA-O |
| TotalMolweight | 317.415 |
| Molweight | 317.415 |
| MonoisotopicMass | 317.176621 |
| CLogP | 1.6632 |
| CLogS | -4.514 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 242.31 |
| Relative PSA | 0.076802 |
| PolarSurfaceArea | 32.98 |
| Druglikeness | 6.4349 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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