2-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]benzene-1,3,5-triol
PubChem CID: 14704569
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| Topological Polar Surface Area | 73.8 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 371.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]benzene-1,3,5-triol |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C17H14O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SXPAJVVJLHSKEO-NSCUHMNNSA-N |
| Fcsp3 | 0.0588235294117647 |
| Logs | -3.776 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.863 |
| Compound Name | 2-[5-[(E)-prop-1-enyl]-1-benzofuran-2-yl]benzene-1,3,5-triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 282.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 282.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.462700428571429 |
| Inchi | InChI=1S/C17H14O4/c1-2-3-10-4-5-15-11(6-10)7-16(21-15)17-13(19)8-12(18)9-14(17)20/h2-9,18-20H,1H3/b3-2+ |
| Smiles | C/C=C/C1=CC2=C(C=C1)OC(=C2)C3=C(C=C(C=C3O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Krameria Interior (Plant) Rel Props:Source_db:cmaup_ingredients