3-[(E)-3-anthracen-9-ylprop-2-enoyl]chromen-2-one
Formula:C26H16O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
3-[(E)-3-anthracen-9-ylprop-2-enoyl]chromen-2-one is not a drug-like molecule.
| MolName | 3-[(E)-3-anthracen-9-ylprop-2-enoyl]chromen-2-one |
| MolecularFormula | C26H16O3 |
| Smiles | O=C(/C=C/c1c(cccc2)c2cc2ccccc12)C1=Cc(cccc2)c2OC1=O |
| InChI | InChI=1S/C26H16O3/c27-24(23-16-19-9-3-6-12-25(19)29-26(23)28)14-13-22-20-10-4-1-7-17(20)15-18-8-2-5-11-21(18)22/h1-16H |
| InChIK | ZLFGXIHUEHESPY-UHFFFAOYSA-N |
| TotalMolweight | 376.41 |
| Molweight | 376.41 |
| MonoisotopicMass | 376.109945 |
| CLogP | 5.5008 |
| CLogS | -7.168 |
| H Acceptors | 3 |
| TotalSurfaceArea | 285.43 |
| Relative PSA | 0.12641 |
| PolarSurfaceArea | 43.37 |
| Druglikeness | -1.2384 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | twice activated DB |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
Click to Load Molecule:
1 - 3-[(E)-3-anthracen-9-ylprop-2-enoyl]chromen-2-one | 2 - 3-[(E)-3-anthracen-9-ylprop-2-enoyl]chromen-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off