(2Z)-2-(furan-2-ylmethylidene)cyclohexan-1-one
Formula:C11H12O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-(furan-2-ylmethylidene)cyclohexan-1-one is a drug-like molecule.
| MolName | (2Z)-2-(furan-2-ylmethylidene)cyclohexan-1-one |
| MolecularFormula | C11H12O2 |
| Smiles | O=C(CCCC1)/C1=C\c1ccco1 |
| InChI | InChI=1S/C11H12O2/c12-11-6-2-1-4-9(11)8-10-5-3-7-13-10/h3,5,7-8H,1-2,4,6H2 |
| InChIK | XLILSZDCLCSYMR-UHFFFAOYSA-N |
| TotalMolweight | 176.214 |
| Molweight | 176.214 |
| MonoisotopicMass | 176.08373 |
| CLogP | 2.2795 |
| CLogS | -2.878 |
| H Acceptors | 2 |
| TotalSurfaceArea | 146.95 |
| Relative PSA | 0.18476 |
| PolarSurfaceArea | 30.21 |
| Druglikeness | -7.7026 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - (2Z)-2-(furan-2-ylmethylidene)cyclohexan-1-one | 2 - (2Z)-2-(furan-2-ylmethylidene)cyclohexan-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off