4-[(Z)-2-(2-chlorophenyl)-1-phenylethenyl]pyridine
Formula:C19H14NCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
4-[(Z)-2-(2-chlorophenyl)-1-phenylethenyl]pyridine is a drug-like molecule.
| MolName | 4-[(Z)-2-(2-chlorophenyl)-1-phenylethenyl]pyridine |
| MolecularFormula | C19H14NCl |
| Smiles | Clc1c(/C=C(/c2ccccc2)\c2ccncc2)cccc1 |
| InChI | InChI=1S/C19H14ClN/c20-19-9-5-4-8-17(19)14-18(15-6-2-1-3-7-15)16-10-12-21-13-11-16/h1-14H |
| InChIK | KEPDTMPEGCMQFQ-UHFFFAOYSA-N |
| TotalMolweight | 291.78 |
| Molweight | 291.78 |
| MonoisotopicMass | 291.081476 |
| CLogP | 4.0204 |
| CLogS | -4.898 |
| H Acceptors | 1 |
| TotalSurfaceArea | 231.67 |
| Relative PSA | 0.047352 |
| PolarSurfaceArea | 12.89 |
| Druglikeness | -0.46083 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.47619 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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