Chemical Name - Mesitylene
Mol Weight - 120.194
Smiles - Cc1cc(C)cc(C)c1
Mol Weight - 120.194
Smiles - Cc1cc(C)cc(C)c1
| Property Value | |
| Mol Name | Mesitylene |
| Molweight | 120.194 |
| Monoisotopic Mass | 120.0939 |
| Clogp | 2.6913 |
| Clogs | -2.648 |
| Total Surface Area | 110.04 |
| Druglikeness | -2.4599 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Shape Index | 0.55556 |
| Molecular Complexity | 0.62123 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 3 |
| Symmetric Atoms | 6 |
| Smiles | Cc1cc(C)cc(C)c1 |
| InChIKey | InChI=1S/C9H12/c1-7-4-8(2)6-9(3)5-7/h4-6H,1-3H3 |
| InChI | AUHZEENZYGFFBQ-UHFFFAOYSA-N |
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1 - Mesitylene
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