Magnatriol B
PubChem CID: 5319191
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| Compound Synonyms | Magnatriol B, 2-(4-hydroxy-3-prop-2-enylphenyl)benzene-1,4-diol, CHEMBL551562, 138591-24-9 |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 279.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 2-(4-hydroxy-3-prop-2-enylphenyl)benzene-1,4-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.6 |
| Molecular Formula | C15H14O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KNQRYSAELBJEAD-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -2.908 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.233 |
| Compound Name | Magnatriol B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 242.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.094 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 242.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8739321333333328 |
| Inchi | InChI=1S/C15H14O3/c1-2-3-11-8-10(4-6-14(11)17)13-9-12(16)5-7-15(13)18/h2,4-9,16-18H,1,3H2 |
| Smiles | C=CCC1=C(C=CC(=C1)C2=C(C=CC(=C2)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Magnolia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all