(2Z)-2-(cyclohexylmethylidene)-3,4-dihydronaphthalen-1-one
Formula:C17H20O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(2Z)-2-(cyclohexylmethylidene)-3,4-dihydronaphthalen-1-one is a drug-like molecule.
| MolName | (2Z)-2-(cyclohexylmethylidene)-3,4-dihydronaphthalen-1-one |
| MolecularFormula | C17H20O |
| Smiles | O=C(/C(/CC1)=C\C2CCCCC2)c2c1cccc2 |
| InChI | InChI=1S/C17H20O/c18-17-15(12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-16(14)17/h4-5,8-9,12-13H,1-3,6-7,10-11H2 |
| InChIK | RGQLXQCDOGHGGP-UHFFFAOYSA-N |
| TotalMolweight | 240.345 |
| Molweight | 240.345 |
| MonoisotopicMass | 240.151415 |
| CLogP | 4.2405 |
| CLogS | -4.381 |
| H Acceptors | 1 |
| TotalSurfaceArea | 197.54 |
| Relative PSA | 0.066012 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -4.1866 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| StereoCon |
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