Benzene ethanol
PubChem CID: 21965192
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| Compound Synonyms | benzene ethanol, ethanol benzene, ethanol-benzene, benzene EtOH, SCHEMBL137177, WVHBHPATSLQXGC-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 18.3 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | benzene, ethanol |
| Prediction Hob | 1.0 |
| Molecular Formula | C8H12O |
| Prediction Swissadme | 0.0 |
| Inchi Key | WVHBHPATSLQXGC-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -1.764 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.1 |
| Compound Name | Benzene ethanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 124.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 124.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 124.18 |
| Covalent Unit Count | 2.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.388467933333333 |
| Inchi | InChI=1S/C6H6.C2H6O/c1-2-4-6-5-3-1, 1-2-3/h1-6H, 3H,2H2,1H3 |
| Smiles | CCO.C1=CC=CC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Crocus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Spatholobus Suberectus (Plant) Rel Props:Source_db:cmaup_ingredients