Chemical Name - Orcinol Monohydrate
Mol Weight - 124.139
Smiles - Cc1cc(O)cc(O)c1.O
Mol Weight - 124.139
Smiles - Cc1cc(O)cc(O)c1.O
| Property Value | |
| Mol Name | Orcinol Monohydrate |
| Molweight | 124.139 |
| Monoisotopic Mass | 124.05243 |
| Clogp | 1.3121 |
| Clogs | -1.368 |
| H Acceptors | 2 |
| H Donors | 2 |
| Total Surface Area | 98.22 |
| Relative Psa | 0.26675 |
| Polar Surface Area | 40.46 |
| Druglikeness | -2.315 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.55556 |
| Molecular Complexity | 0.7083 |
| Fragments | 2 |
| Non H Atoms | 9 |
| Non Ch Atoms | 2 |
| Electronegative Atoms | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3 Atoms | 3 |
| Symmetric Atoms | 3 |
| Smiles | Cc1cc(O)cc(O)c1.O |
| InChIKey | InChI=1S/C7H8O2.H2O/c1-5-2-6(8)4-7(9)3-5;/h2-4,8-9H,1H3;1H2 |
| InChI | NBKPNAMTHBIMLA-UHFFFAOYSA-N |
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