(Z)-1-(furan-2-yl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine
Formula:C14H17N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-1-(furan-2-yl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine is a drug-like molecule.
| MolName | (Z)-1-(furan-2-yl)-N-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanimine |
| MolecularFormula | C14H17N4O |
| Smiles | C(CN(CC1)/N=C\c2ccco2)N1c1[nH+]cccc1 |
| InChI | InChI=1S/C14H16N4O/c1-2-6-15-14(5-1)17-7-9-18(10-8-17)16-12-13-4-3-11-19-13/h1-6,11-12H,7-10H2/p+1 |
| InChIK | BHHPXUKVKGUDOC-UHFFFAOYSA-O |
| TotalMolweight | 257.316 |
| Molweight | 257.316 |
| MonoisotopicMass | 257.140236 |
| CLogP | -0.3425 |
| CLogS | -2.59 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 197.4 |
| Relative PSA | 0.16575 |
| PolarSurfaceArea | 46.12 |
| Druglikeness | 5.6391 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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