Mol Weight - 208.212
Smiles - COc1cc(CC(OC2)=O)c2cc1OC
| Property Name | Property Value |
| Mol Name | 6,7-dimethoxyisochroman-3-one |
| Molweight | 208.212 |
| Monoisotopic Mass | 208.07356 |
| Clogp | 0.5627 |
| Clogs | -1.995 |
| H Acceptors | 4 |
| Total Surface Area | 159.55 |
| Relative Psa | 0.26976 |
| Polar Surface Area | 44.76 |
| Druglikeness | -2.4633 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.6 |
| Molecular Flexibility | 0.31064 |
| Molecular Complexity | 0.75181 |
| Fragments | 1 |
| Non H Atoms | 15 |
| Non Ch Atoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bonds | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 7 |
| Smiles | COc1cc(CC(OC2)=O)c2cc1OC |
| InChIKey | InChI=1S/C11H12O4/c1-13-9-3-7-5-11(12)15-6-8(7)4-10(9)14-2/h3-4H,5-6H2,1-2H3 |
| InChI | XEZRPKWKRMROBK-UHFFFAOYSA-N |
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1 — 6,7-dimethoxyisochroman-3-one | 2 — 6,7-dimethoxyisochroman-3-one