(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-2-ylmethanimine
Formula:C16H17N4Cl
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
(E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-2-ylmethanimine is a drug-like molecule.
| MolName | (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-2-ylmethanimine |
| MolecularFormula | C16H17N4Cl |
| Smiles | Clc(cc1)ccc1N(CC1)CCN1/N=C/c1ncccc1 |
| InChI | InChI=1S/C16H17ClN4/c17-14-4-6-16(7-5-14)20-9-11-21(12-10-20)19-13-15-3-1-2-8-18-15/h1-8,13H,9-12H2 |
| InChIK | XEILQAYUBZKHKX-UHFFFAOYSA-N |
| TotalMolweight | 300.792 |
| Molweight | 300.792 |
| MonoisotopicMass | 300.114173 |
| CLogP | 2.7552 |
| CLogS | -3.143 |
| H Acceptors | 4 |
| TotalSurfaceArea | 234.1 |
| Relative PSA | 0.12636 |
| PolarSurfaceArea | 31.73 |
| Druglikeness | 6.6683 |
| 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 | 5 |
| Electronegative Atoms | 5 |
| 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-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-2-ylmethanimine | 2 - (E)-N-[4-(4-chlorophenyl)piperazin-1-yl]-1-pyridin-2-ylmethanimine
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