[3-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone
Formula:C22H18O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone is a drug-like molecule.
| MolName | [3-(4-methylbenzoyl)phenyl]-(4-methylphenyl)methanone |
| MolecularFormula | C22H18O2 |
| Smiles | Cc(cc1)ccc1C(c1cccc(C(c2ccc(C)cc2)=O)c1)=O |
| InChI | InChI=1S/C22H18O2/c1-15-6-10-17(11-7-15)21(23)19-4-3-5-20(14-19)22(24)18-12-8-16(2)9-13-18/h3-14H,1-2H3 |
| InChIK | FIALLYBQVILKOF-UHFFFAOYSA-N |
| TotalMolweight | 314.383 |
| Molweight | 314.383 |
| MonoisotopicMass | 314.13068 |
| CLogP | 4.6074 |
| CLogS | -6.504 |
| H Acceptors | 2 |
| TotalSurfaceArea | 252.8 |
| Relative PSA | 0.10316 |
| PolarSurfaceArea | 34.14 |
| Druglikeness | -1.1727 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 13 |
| StereoCon |
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