Chemical Name - 3,5-Xylenol
Mol Weight - 122.166
Smiles - Cc1cc(O)cc(C)c1
Mol Weight - 122.166
Smiles - Cc1cc(O)cc(C)c1
| Property Value | |
| Mol Name | 3,5-Xylenol |
| Molweight | 122.166 |
| Monoisotopic Mass | 122.073165 |
| Clogp | 2.0017 |
| Clogs | -2.008 |
| H Acceptors | 1 |
| H Donors | 1 |
| Total Surface Area | 104.13 |
| Relative Psa | 0.1258 |
| Polar Surface Area | 20.23 |
| Druglikeness | -2.315 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Shape Index | 0.55556 |
| Molecular Complexity | 0.67701 |
| Fragments | 1 |
| Non H Atoms | 9 |
| Non Ch Atoms | 1 |
| Electronegative Atoms | 1 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 3 |
| Symmetric Atoms | 3 |
| Smiles | Cc1cc(O)cc(C)c1 |
| InChIKey | InChI=1S/C8H10O/c1-6-3-7(2)5-8(9)4-6/h3-5,9H,1-2H3 |
| InChI | TUAMRELNJMMDMT-UHFFFAOYSA-N |
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