2-[(E)-4-naphthalen-1-ylbut-2-enyl]cyclohexan-1-one
Formula:C20H22O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-[(E)-4-naphthalen-1-ylbut-2-enyl]cyclohexan-1-one is not a drug-like molecule.
| MolName | 2-[(E)-4-naphthalen-1-ylbut-2-enyl]cyclohexan-1-one |
| MolecularFormula | C20H22O |
| Smiles | O=C1C(C/C=C/Cc2cccc3ccccc23)CCCC1 |
| InChI | InChI=1S/C20H22O/c21-20-15-6-4-11-18(20)10-2-1-8-16-12-7-13-17-9-3-5-14-19(16)17/h1-3,5,7,9,12-14,18H,4,6,8,10-11,15H2/t18-/m0/s1 |
| InChIK | HXVYMVTVVQNOLY-SFHVURJKSA-N |
| TotalMolweight | 278.394 |
| Molweight | 278.394 |
| MonoisotopicMass | 278.167065 |
| CLogP | 5.3602 |
| CLogS | -5.285 |
| H Acceptors | 1 |
| TotalSurfaceArea | 233.67 |
| Relative PSA | 0.055805 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -9.459 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 7 |
| StereoCon | racemate |
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