(2Z)-1-phenyl-2-(2-phenyl-1,3-dioxaspiro[4.5]decan-4-ylidene)ethanone
Formula:C22H22O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2Z)-1-phenyl-2-(2-phenyl-1,3-dioxaspiro[4.5]decan-4-ylidene)ethanone is a drug-like molecule.
| MolName | (2Z)-1-phenyl-2-(2-phenyl-1,3-dioxaspiro[4.5]decan-4-ylidene)ethanone |
| MolecularFormula | C22H22O3 |
| Smiles | O=C(/C=C1\OC(c2ccccc2)OC11CCCCC1)c1ccccc1 |
| InChI | InChI=1S/C22H22O3/c23-19(17-10-4-1-5-11-17)16-20-22(14-8-3-9-15-22)25-21(24-20)18-12-6-2-7-13-18/h1-2,4-7,10-13,16,21H,3,8-9,14-15H2/t21-/m0/s1 |
| InChIK | PRWMWTRXRKEELJ-NRFANRHFSA-N |
| TotalMolweight | 334.414 |
| Molweight | 334.414 |
| MonoisotopicMass | 334.156895 |
| CLogP | 3.792 |
| CLogS | -5.032 |
| H Acceptors | 3 |
| TotalSurfaceArea | 260.19 |
| Relative PSA | 0.12698 |
| PolarSurfaceArea | 35.53 |
| Druglikeness | -3.7025 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (2Z)-1-phenyl-2-(2-phenyl-1,3-dioxaspiro[4.5]decan-4-ylidene)ethanone | 2 - (2Z)-1-phenyl-2-(2-phenyl-1,3-dioxaspiro[4.5]decan-4-ylidene)ethanone
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off