(6E)-6-(cyclohexylmethylidene)-8,9-dihydro-7H-benzo[7]annulen-5-one
Formula:C18H22O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6E)-6-(cyclohexylmethylidene)-8,9-dihydro-7H-benzo[7]annulen-5-one is a drug-like molecule.
| MolName | (6E)-6-(cyclohexylmethylidene)-8,9-dihydro-7H-benzo[7]annulen-5-one |
| MolecularFormula | C18H22O |
| Smiles | O=C(c1c(CCC2)cccc1)/C2=C/C1CCCCC1 |
| InChI | InChI=1S/C18H22O/c19-18-16(13-14-7-2-1-3-8-14)11-6-10-15-9-4-5-12-17(15)18/h4-5,9,12-14H,1-3,6-8,10-11H2 |
| InChIK | AFJJYWUBVIGGKR-UHFFFAOYSA-N |
| TotalMolweight | 254.372 |
| Molweight | 254.372 |
| MonoisotopicMass | 254.167065 |
| CLogP | 4.5825 |
| CLogS | -4.651 |
| H Acceptors | 1 |
| TotalSurfaceArea | 211.3 |
| Relative PSA | 0.061713 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -4.1866 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| StereoCon |
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