2-(3-Ethenylpyridin-4-yl)ethanol
PubChem CID: 5317555
Connections displayed (default: 10).
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| Topological Polar Surface Area | 33.1 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 125.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3-ethenylpyridin-4-yl)ethanol |
| Prediction Hob | 1.0 |
| Xlogp | 1.2 |
| Molecular Formula | C9H11NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | NEMKMHUCTPZMSO-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | 0.235 |
| Rotatable Bond Count | 3.0 |
| Logd | 0.895 |
| Compound Name | 2-(3-Ethenylpyridin-4-yl)ethanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 149.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 149.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 149.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.7266329636363633 |
| Inchi | InChI=1S/C9H11NO/c1-2-8-7-10-5-3-9(8)4-6-11/h2-3,5,7,11H,1,4,6H2 |
| Smiles | C=CC1=C(C=CN=C1)CCO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Camptotheca Acuminata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Gentiana Nivalis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Gentiana Tibetica (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Menyanthes Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients