(5,7-Dihydroxy-4-oxo-2-phenylchromen-3-yl) acetate
PubChem CID: 5320525
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | SCHEMBL4157325 |
|---|---|
| Topological Polar Surface Area | 93.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 519.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5,7-dihydroxy-4-oxo-2-phenylchromen-3-yl) acetate |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C17H12O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VTNJLLOJTCYTNZ-UHFFFAOYSA-N |
| Fcsp3 | 0.0588235294117647 |
| Logs | -3.823 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.443 |
| Compound Name | (5,7-Dihydroxy-4-oxo-2-phenylchromen-3-yl) acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 312.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 312.063 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 312.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.604900008695652 |
| Inchi | InChI=1S/C17H12O6/c1-9(18)22-17-15(21)14-12(20)7-11(19)8-13(14)23-16(17)10-5-3-2-4-6-10/h2-8,19-20H,1H3 |
| Smiles | CC(=O)OC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=CC=C3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Populus Davidiana (Plant) Rel Props:Source_db:cmaup_ingredients