4-[(E)-2-quinolin-2-ylethenyl]benzonitrile
Formula:C18H12N2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-2-quinolin-2-ylethenyl]benzonitrile is a drug-like molecule.
| MolName | 4-[(E)-2-quinolin-2-ylethenyl]benzonitrile |
| MolecularFormula | C18H12N2 |
| Smiles | N#Cc1ccc(/C=C/c2nc3ccccc3cc2)cc1 |
| InChI | InChI=1S/C18H12N2/c19-13-15-7-5-14(6-8-15)9-11-17-12-10-16-3-1-2-4-18(16)20-17/h1-12H |
| InChIK | KPMYDPSCVOFJEY-UHFFFAOYSA-N |
| TotalMolweight | 256.307 |
| Molweight | 256.307 |
| MonoisotopicMass | 256.100048 |
| CLogP | 4.0722 |
| CLogS | -5.255 |
| H Acceptors | 2 |
| TotalSurfaceArea | 214.59 |
| Relative PSA | 0.11431 |
| PolarSurfaceArea | 36.68 |
| Druglikeness | -5.7069 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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