Chemical Name - Phthalide
Mol Weight - 134.134
Smiles - O=C1OCc2c1cccc2
Mol Weight - 134.134
Smiles - O=C1OCc2c1cccc2
| Property Value | |
| Mol Name | Phthalide |
| Molweight | 134.134 |
| Monoisotopic Mass | 134.03678 |
| Clogp | 0.7138 |
| Clogs | -1.994 |
| H Acceptors | 2 |
| Total Surface Area | 101.27 |
| Relative Psa | 0.22751 |
| Polar Surface Area | 26.3 |
| Druglikeness | -1.5588 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.6 |
| Molecular Complexity | 0.75224 |
| Fragments | 1 |
| Non H Atoms | 10 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 2 |
| Smiles | O=C1OCc2c1cccc2 |
| InChIKey | InChI=1S/C8H6O2/c9-8-7-4-2-1-3-6(7)5-10-8/h1-4H,5H2 |
| InChI | WNZQDUSMALZDQF-UHFFFAOYSA-N |
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