| MolName | (E)-3-(furan-2-yl)-2-naphthalen-2-ylprop-2-enenitrile |
| MolecularFormula | C17H11NO |
| Smiles | N#C/C(/c1cc2ccccc2cc1)=C/c1ccco1 |
| InChI | InChI=1S/C17H11NO/c18-12-16(11-17-6-3-9-19-17)15-8-7-13-4-1-2-5-14(13)10-15/h1-11H |
| InChIK | UKUJUDFLVUIRJV-UHFFFAOYSA-N |
| TotalMolweight | 245.28 |
| Molweight | 245.28 |
| MonoisotopicMass | 245.084064 |
| CLogP | 3.7157 |
| CLogS | -4.917 |
| H Acceptors | 2 |
| TotalSurfaceArea | 203.73 |
| Relative PSA | 0.13582 |
| PolarSurfaceArea | 36.93 |
| Druglikeness | -5.1812 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(furan-2-yl)-2-naphthalen-2-ylprop-2-enenitrile | 2 - (E)-3-(furan-2-yl)-2-naphthalen-2-ylprop-2-enenitrile