(E)-1,3-dinaphthalen-1-ylprop-2-en-1-one
Formula:C23H16O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(E)-1,3-dinaphthalen-1-ylprop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1,3-dinaphthalen-1-ylprop-2-en-1-one |
| MolecularFormula | C23H16O |
| Smiles | O=C(/C=C/c1cccc2ccccc12)c1cccc2ccccc12 |
| InChI | InChI=1S/C23H16O/c24-23(22-14-6-11-18-8-2-4-13-21(18)22)16-15-19-10-5-9-17-7-1-3-12-20(17)19/h1-16H |
| InChIK | WXTUPKOMTOZRJM-UHFFFAOYSA-N |
| TotalMolweight | 308.379 |
| Molweight | 308.379 |
| MonoisotopicMass | 308.120115 |
| CLogP | 5.6926 |
| CLogS | -7.052 |
| H Acceptors | 1 |
| TotalSurfaceArea | 246.47 |
| Relative PSA | 0.052907 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | 0.1125 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| StereoCon |
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