7-Hydroxy-3-[(4-hydroxyphenyl)methyl]-6-methoxychromen-2-one
PubChem CID: 44479224
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL1080242 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 438.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 7-hydroxy-3-[(4-hydroxyphenyl)methyl]-6-methoxychromen-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C17H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AEFXNURLAGMDLH-UHFFFAOYSA-N |
| Fcsp3 | 0.1176470588235294 |
| Logs | -3.598 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.886 |
| Compound Name | 7-Hydroxy-3-[(4-hydroxyphenyl)methyl]-6-methoxychromen-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 298.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2581046181818185 |
| Inchi | InChI=1S/C17H14O5/c1-21-16-8-11-7-12(6-10-2-4-13(18)5-3-10)17(20)22-15(11)9-14(16)19/h2-5,7-9,18-19H,6H2,1H3 |
| Smiles | COC1=C(C=C2C(=C1)C=C(C(=O)O2)CC3=CC=C(C=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Soymida Febrifuga (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all