Mol Weight - 242.273
Smiles - COc(cc1)ccc1C(c(cc1)ccc1OC)=O
InChI - RFVHVYKVRGKLNK-UHFFFAOYSA-N
InChIKey - InChI=1S/C15H14O3/c1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12/h3-10H,1-2H3
| Property Name | Property Value |
| Mol Name | 4,4’-Dimethoxy Benzophenone |
| Molweight | 242.273 |
| Monoisotopic Mass | 242.094295 |
| Clogp | 2.6496 |
| Clogs | -3.752 |
| H Acceptors | 3 |
| Total Surface Area | 195.29 |
| Relative Psa | 0.16918 |
| Polar Surface Area | 35.53 |
| Druglikeness | -0.99272 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Shape Index | 0.72222 |
| Molecular Flexibility | 0.51641 |
| Molecular Complexity | 0.56169 |
| Fragments | 1 |
| Non H Atoms | 18 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bonds | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3 Atoms | 4 |
| Symmetric Atoms | 10 |
| Smiles | COc(cc1)ccc1C(c(cc1)ccc1OC)=O |
| InChIKey | InChI=1S/C15H14O3/c1-17-13-7-3-11(4-8-13)15(16)12-5-9-14(18-2)10-6-12/h3-10H,1-2H3 |
| InChI | RFVHVYKVRGKLNK-UHFFFAOYSA-N |
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1 — 4,4’-Dimethoxy Benzophenone | 2 — 4,4’-Dimethoxy Benzophenone