(E)-2-(4-chlorophenyl)-3-(2-piperidin-1-ylquinolin-3-yl)prop-2-enenitrile
Formula:C23H20N3Cl
Mutagenic:none
Tumorigenic:low
Reproductive Effective:low
(E)-2-(4-chlorophenyl)-3-(2-piperidin-1-ylquinolin-3-yl)prop-2-enenitrile is not a drug-like molecule.
| MolName | (E)-2-(4-chlorophenyl)-3-(2-piperidin-1-ylquinolin-3-yl)prop-2-enenitrile |
| MolecularFormula | C23H20N3Cl |
| Smiles | N#C/C(/c(cc1)ccc1Cl)=C/c1cc2ccccc2nc1N1CCCCC1 |
| InChI | InChI=1S/C23H20ClN3/c24-21-10-8-17(9-11-21)20(16-25)15-19-14-18-6-2-3-7-22(18)26-23(19)27-12-4-1-5-13-27/h2-3,6-11,14-15H,1,4-5,12-13H2 |
| InChIK | LYBGAFROYTZNAK-UHFFFAOYSA-N |
| TotalMolweight | 373.886 |
| Molweight | 373.886 |
| MonoisotopicMass | 373.134574 |
| CLogP | 5.439 |
| CLogS | -6.588 |
| H Acceptors | 3 |
| TotalSurfaceArea | 293.82 |
| Relative PSA | 0.095569 |
| PolarSurfaceArea | 39.92 |
| Druglikeness | -3.4016 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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