Chemical Name - Para Xylene
Mol Weight - 106.167
Smiles - Cc1ccc(C)cc1
Mol Weight - 106.167
Smiles - Cc1ccc(C)cc1
| Property Value | |
| Mol Name | Para Xylene |
| Molweight | 106.167 |
| Monoisotopic Mass | 106.07825 |
| Clogp | 2.3474 |
| Clogs | -2.304 |
| Total Surface Area | 97.78 |
| Druglikeness | -2.4599 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.75 |
| Molecular Complexity | 0.54931 |
| Fragments | 1 |
| Non H Atoms | 8 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 2 |
| Symmetric Atoms | 5 |
| Smiles | Cc1ccc(C)cc1 |
| InChIKey | InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3 |
| InChI | URLKBWYHVLBVBO-UHFFFAOYSA-N |
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1 - Para Xylene
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