(E)-3-(1,3-benzodioxol-5-yl)-1-naphthalen-1-ylprop-2-en-1-one
Formula:C20H14O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(E)-3-(1,3-benzodioxol-5-yl)-1-naphthalen-1-ylprop-2-en-1-one is a drug-like molecule.
| MolName | (E)-3-(1,3-benzodioxol-5-yl)-1-naphthalen-1-ylprop-2-en-1-one |
| MolecularFormula | C20H14O3 |
| Smiles | O=C(/C=C/c(cc1)cc2c1OCO2)c1cccc2ccccc12 |
| InChI | InChI=1S/C20H14O3/c21-18(17-7-3-5-15-4-1-2-6-16(15)17)10-8-14-9-11-19-20(12-14)23-13-22-19/h1-12H,13H2 |
| InChIK | LPTQOHKILLDHLD-UHFFFAOYSA-N |
| TotalMolweight | 302.328 |
| Molweight | 302.328 |
| MonoisotopicMass | 302.094295 |
| CLogP | 4.6096 |
| CLogS | -6.157 |
| H Acceptors | 3 |
| TotalSurfaceArea | 232.13 |
| Relative PSA | 0.14233 |
| PolarSurfaceArea | 35.53 |
| Druglikeness | 0.0575 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - (E)-3-(1,3-benzodioxol-5-yl)-1-naphthalen-1-ylprop-2-en-1-one | 2 - (E)-3-(1,3-benzodioxol-5-yl)-1-naphthalen-1-ylprop-2-en-1-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off