phenylmethan(18O)ol
PubChem CID: 11062333
Connections displayed (default: 10).
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 1.0 |
| Molecular Complexity | 55.4 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | phenylmethan(18O)ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.1 |
| Molecular Formula | C7H8O |
| Prediction Swissadme | 0.0 |
| Inchi Key | WVDDGKGOMKODPV-PPJXEINESA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -0.668 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.114 |
| Compound Name | phenylmethan(18O)ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 110.062 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 110.062 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 110.14 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7048689981999998 |
| Inchi | InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2/i8+2 |
| Smiles | C1=CC=C(C=C1)C[18OH] |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chaenomeles Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cicuta Virosa (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Prunus Mume (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Prunus Persica (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Uncaria Macrophylla (Plant) Rel Props:Source_db:cmaup_ingredients