(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-pyridin-2-ylmethanimine
Formula:C17H21N4
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-pyridin-2-ylmethanimine is a drug-like molecule.
| MolName | (Z)-N-(4-benzylpiperazin-4-ium-1-yl)-1-pyridin-2-ylmethanimine |
| MolecularFormula | C17H21N4 |
| Smiles | C(c1ccccc1)[NH+](CC1)CCN1/N=C\c1ncccc1 |
| InChI | InChI=1S/C17H20N4/c1-2-6-16(7-3-1)15-20-10-12-21(13-11-20)19-14-17-8-4-5-9-18-17/h1-9,14H,10-13,15H2/p+1 |
| InChIK | HEPIOLOMARTNIC-UHFFFAOYSA-O |
| TotalMolweight | 281.382 |
| Molweight | 281.382 |
| MonoisotopicMass | 281.176621 |
| CLogP | -0.0376 |
| CLogS | -1.885 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 246.48 |
| Relative PSA | 0.17697 |
| PolarSurfaceArea | 32.93 |
| Druglikeness | 3.8498 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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