(2E)-2-benzylidene-7-phenyl-3,4-dihydronaphthalen-1-one
Formula:C23H18O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E)-2-benzylidene-7-phenyl-3,4-dihydronaphthalen-1-one is not a drug-like molecule.
| MolName | (2E)-2-benzylidene-7-phenyl-3,4-dihydronaphthalen-1-one |
| MolecularFormula | C23H18O |
| Smiles | O=C(/C(/CC1)=C/c2ccccc2)c2c1ccc(-c1ccccc1)c2 |
| InChI | InChI=1S/C23H18O/c24-23-21(15-17-7-3-1-4-8-17)14-12-19-11-13-20(16-22(19)23)18-9-5-2-6-10-18/h1-11,13,15-16H,12,14H2 |
| InChIK | VRUMPZZUCFMECA-UHFFFAOYSA-N |
| TotalMolweight | 310.395 |
| Molweight | 310.395 |
| MonoisotopicMass | 310.135765 |
| CLogP | 5.672 |
| CLogS | -6.369 |
| H Acceptors | 1 |
| TotalSurfaceArea | 249.26 |
| Relative PSA | 0.052315 |
| PolarSurfaceArea | 17.07 |
| Druglikeness | -0.24405 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 1 |
| Electronegative Atoms | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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