(E)-3-anthracen-9-yl-1-naphthalen-1-ylprop-2-en-1-one
Formula:C27H18O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-anthracen-9-yl-1-naphthalen-1-ylprop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-3-anthracen-9-yl-1-naphthalen-1-ylprop-2-en-1-one |
| MolecularFormula | C27H18O |
| Smiles | O=C(/C=C/c1c(cccc2)c2cc2ccccc12)c1cccc2ccccc12 |
| InChI | InChI=1S/C27H18O/c28-27(26-15-7-11-19-8-1-4-12-22(19)26)17-16-25-23-13-5-2-9-20(23)18-21-10-3-6-14-24(21)25/h1-18H |
| InChIK | PJNDOPWSXRTVFI-UHFFFAOYSA-N |
| TotalMolweight | 358.439 |
| Molweight | 358.439 |
| MonoisotopicMass | 358.135765 |
| CLogP | 6.887 |
| CLogS | -8.658 |
| H Acceptors | 1 |
| TotalSurfaceArea | 281.07 |
| Relative PSA | 0.046394 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.1125 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.46429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 6 |
| StereoCon |
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