(E)-N-(4-phenylpiperazin-1-yl)-1-pyridin-2-ylmethanimine
Formula:C16H18N4
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
(E)-N-(4-phenylpiperazin-1-yl)-1-pyridin-2-ylmethanimine is a drug-like molecule.
| MolName | (E)-N-(4-phenylpiperazin-1-yl)-1-pyridin-2-ylmethanimine |
| MolecularFormula | C16H18N4 |
| Smiles | C(CN(CC1)/N=C/c2ncccc2)N1c1ccccc1 |
| InChI | InChI=1S/C16H18N4/c1-2-7-16(8-3-1)19-10-12-20(13-11-19)18-14-15-6-4-5-9-17-15/h1-9,14H,10-13H2 |
| InChIK | VGPVGEHNRLTEJB-UHFFFAOYSA-N |
| TotalMolweight | 266.347 |
| Molweight | 266.347 |
| MonoisotopicMass | 266.153146 |
| CLogP | 2.1492 |
| CLogS | -2.407 |
| H Acceptors | 4 |
| TotalSurfaceArea | 218.68 |
| Relative PSA | 0.13527 |
| PolarSurfaceArea | 31.73 |
| Druglikeness | 6.7261 |
| 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 | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-N-(4-phenylpiperazin-1-yl)-1-pyridin-2-ylmethanimine | 2 - (E)-N-(4-phenylpiperazin-1-yl)-1-pyridin-2-ylmethanimine
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