Capillanol
PubChem CID: 5315669
Connections displayed (default: 10).
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| Compound Synonyms | Capillanol, 6-phenylhex-4-yn-2-ol, CHEBI:81335, C17783, Q27155274 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 190.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-phenylhex-4-yn-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C12H14O |
| Prediction Swissadme | 1.0 |
| Inchi Key | WWNYBNQWIHBNIE-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.891 |
| Rotatable Bond Count | 2.0 |
| Logd | -0.286 |
| Compound Name | Capillanol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 174.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 174.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 174.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7804450615384613 |
| Inchi | InChI=1S/C12H14O/c1-11(13)7-5-6-10-12-8-3-2-4-9-12/h2-4,8-9,11,13H,7,10H2,1H3 |
| Smiles | CC(CC#CCC1=CC=CC=C1)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Capillaries (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Corydalis Pallida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all