(3E)-3-benzylidene-5-(5,6,7,8-tetrahydronaphthalen-2-yl)furan-2-one
Formula:C21H18O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-benzylidene-5-(5,6,7,8-tetrahydronaphthalen-2-yl)furan-2-one is a drug-like molecule.
| MolName | (3E)-3-benzylidene-5-(5,6,7,8-tetrahydronaphthalen-2-yl)furan-2-one |
| MolecularFormula | C21H18O2 |
| Smiles | O=C1OC(c2cc(CCCC3)c3cc2)=C/C1=C\c1ccccc1 |
| InChI | InChI=1S/C21H18O2/c22-21-19(12-15-6-2-1-3-7-15)14-20(23-21)18-11-10-16-8-4-5-9-17(16)13-18/h1-3,6-7,10-14H,4-5,8-9H2 |
| InChIK | WLXITBCXMDNNOS-UHFFFAOYSA-N |
| TotalMolweight | 302.372 |
| Molweight | 302.372 |
| MonoisotopicMass | 302.13068 |
| CLogP | 4.58 |
| CLogS | -4.769 |
| H Acceptors | 2 |
| TotalSurfaceArea | 238.23 |
| Relative PSA | 0.096713 |
| PolarSurfaceArea | 26.3 |
| Druglikeness | -5.4321 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - (3E)-3-benzylidene-5-(5,6,7,8-tetrahydronaphthalen-2-yl)furan-2-one | 2 - (3E)-3-benzylidene-5-(5,6,7,8-tetrahydronaphthalen-2-yl)furan-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off