2-Deuterio-6-methoxyphenol
PubChem CID: 10725347
Connections displayed (default: 10).
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| Topological Polar Surface Area | 29.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 1.0 |
| Molecular Complexity | 83.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-deuterio-6-methoxyphenol |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C7H8O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LHGVFZTZFXWLCP-QYKNYGDISA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -1.807 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.249 |
| Compound Name | 2-Deuterio-6-methoxyphenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 125.059 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 125.059 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 125.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.874832964356933 |
| Inchi | InChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3/i4D |
| Smiles | [2H]C1=C(C(=CC=C1)OC)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Apium Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Eucalyptus Globulus (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Ficus Carica (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients