Anemarchalconyn
PubChem CID: 44557158
Connections displayed (default: 10).
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| Compound Synonyms | anemarchalconyn, SCHEMBL775177, CHEMBL1078554, 1,3-bis(4-hydroxyphenyl)prop-2-yn-1-one |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 346.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3-bis(4-hydroxyphenyl)prop-2-yn-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C15H10O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PYTBOJXUAJEHLW-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.581 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.108 |
| Compound Name | Anemarchalconyn |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 238.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.063 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 238.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.7289337333333332 |
| Inchi | InChI=1S/C15H10O3/c16-13-6-1-11(2-7-13)3-10-15(18)12-4-8-14(17)9-5-12/h1-2,4-9,16-17H |
| Smiles | C1=CC(=CC=C1C#CC(=O)C2=CC=C(C=C2)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anemarrhena Asphodeloides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Bulbine Asphodeloides (Plant) Rel Props:Reference: