(Z)-N-(4-phenylpiperazin-1-yl)-1-pyridin-3-ylmethanimine
Formula:C16H18N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-(4-phenylpiperazin-1-yl)-1-pyridin-3-ylmethanimine is a drug-like molecule.
| MolName | (Z)-N-(4-phenylpiperazin-1-yl)-1-pyridin-3-ylmethanimine |
| MolecularFormula | C16H18N4 |
| Smiles | C(CN(CC1)/N=C\c2cccnc2)N1c1ccccc1 |
| InChI | InChI=1S/C16H18N4/c1-2-6-16(7-3-1)19-9-11-20(12-10-19)18-14-15-5-4-8-17-13-15/h1-8,13-14H,9-12H2 |
| InChIK | YMGRPPHSBCJMBT-UHFFFAOYSA-N |
| TotalMolweight | 266.347 |
| Molweight | 266.347 |
| MonoisotopicMass | 266.153146 |
| CLogP | 2.0952 |
| CLogS | -2.383 |
| H Acceptors | 4 |
| TotalSurfaceArea | 218.68 |
| Relative PSA | 0.13527 |
| PolarSurfaceArea | 31.73 |
| Druglikeness | 6.7261 |
| Mutagenic | none |
| 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 - (Z)-N-(4-phenylpiperazin-1-yl)-1-pyridin-3-ylmethanimine | 2 - (Z)-N-(4-phenylpiperazin-1-yl)-1-pyridin-3-ylmethanimine
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